SCHEMBL7619940

SCHEMBL7619940

CC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.79
THRB P10828 1/20 0.79
CYP2C9 P11712 1/20 0.59
LMNA P02545 2/20 0.57
FYN P06241 2/20 0.57
CYP51A1 Q16850 2/20 0.57
HSP90AA1 P07900 2/20 0.57
ADRA1A P35348 2/20 0.57
NR1I2 O75469 1/20 0.57
PGR P06401 1/20 0.57
CHRM2 P08172 1/20 0.57
CHRM4 P08173 1/20 0.57
CHRM5 P08912 1/20 0.57
ADRA2A P08913 1/20 0.57
CHRM1 P11229 1/20 0.57
TSHR P16473 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
CHRM3 P20309 1/20 0.57
DRD1 P21728 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30582199 0.93 CYP3A4 (0.68) CYP3A4THRBCYP2C9LMNAFYN
SCHEMBL30582188 0.93 CYP3A4 (0.68) CYP3A4THRBCYP2C9LMNAFYN
Nitric Acid SCHEMBL11543901 0.92 CYP3A4 (0.68) CYP3A4THRBCYP2C9LMNAFYN
SCHEMBL14019372 0.91 CYP3A4 (0.66) CYP3A4THRBCYP2C9LMNAFYN
Difenoconazole SCHEMBL22126 0.90 CYP3A4 (0.68) CYP3A4THRBCYP2C9LMNAFYN
Difenoconazole SCHEMBL3015472 0.90 CYP3A4 (0.68) CYP3A4THRBCYP2C9LMNAFYN
Difenoconazole SCHEMBL15932941 0.90 CYP3A4 (0.68) CYP3A4THRBCYP2C9LMNAFYN
Difenoconazole SCHEMBL20654517 0.90 CYP3A4 (0.68) CYP3A4THRBCYP2C9LMNAFYN
Difenoconazole SCHEMBL22125 0.90 CYP3A4 (0.68) CYP3A4THRBCYP2C9LMNAFYN
Difenoconazole SCHEMBL15932554 0.90 CYP3A4 (0.68) CYP3A4THRBCYP2C9LMNAFYN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010047015-A1 Pharmaceutical composition for inhibiting the growth of cancers CAMDEN JAMES BERGER (US) 2001-11-29 US claimed
US-20010039291-A1 Compositions and methods of treatment for cancer or viral infections THE PROCTER & GAMBLE COMPANY 2001-11-08 US claimed
US-6228876-B1 ADMINISTERING 1-(1,3-DIOXOLAN-2-YLMETHY)L- OR 1-(1,3-DIOXAN-2-YLMETHYL)-1H-1,2,4-TRIAZOLE DERIVATIVE THE PROCTER & GAMBLE COMPANY 2001-05-08 US claimed
US-6200992-B1 ADMINISTERING 1H-1,2,4-TRIAZOLE DERIVATIVE, CHEMOTHERAPEUTIC AGENT, AND POTENTIATOR; ANTICARCINOGENIC, ANTITUMOR AGENTS THE PROCTER & GAMBLE COMPANY 2001-03-13 US claimed
US-6110953-A Pharmaceutical composition for inhibiting the growth of cancers THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US claimed
US-6025377-A 1H-1,2,4-TRIAZOLE DERIVATIVE. THESE COMPOUNDS CAN ALSO BE USED TO TREAT VIRAL INFECTIONS. THE PROCTER & GAMBLE COMPANY (US) 2000-02-15 US claimed
US-5872142-A 1,3-DIOXANE OR -DIOXOLANE DERIVATIVES OF 1H-1,2,4-TRIAZOLE THE PROCTER & GAMBLE COMPANY (US) 1999-02-16 US claimed
US-5770616-A 1,2,4-TRIAZOLE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-06-23 US claimed
EP-0841920-A2 USE OF 1H-1,2,4-TRIAZOLE DERIVATIVES FOR INHIBITING THE GROWTH OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
EP-0831814-A1 USE OF 1,2,4-TRIAZOLE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1998-04-01 EP claimed
WO-1997005872-A2 USE OF 1H-1,2,4-TRIAZOLE DERIVATIVES FOR INHIBITING THE GROWTH OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1997-02-20 WO claimed
WO-1996040119-A1 USE OF 1,2,4-TRIAZOLE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1996-12-19 WO claimed
EP-0252875-B1 MICROBICIDAL AGENT CIBA-GEIGY AG (CH) 1993-01-27 EP claimed
EP-0252875-A2 Microbicidal agent CIBA-GEIGY AG (CH) 1988-01-13 EP claimed
US-4542146-A Process for the protection of wood and coatings against deterioration by microorganisms JANSSEN PHARMACEUTICA N.V. (BE) 1985-09-17 US claimed
EP-0038109-B1 AGENTS AND METHOD FOR THE PROTECTION OF COATINGS AND WOOD AND OTHER NON-LIVING ORGANIC SUBSTRATES FROM DETERIORATION BY MICRO-ORGANISMS JANSSEN PHARMACEUTICA N.V. (BE) 1984-08-29 EP claimed
EP-0038109-A2 Agents and method for the protection of coatings and wood and other non-living organic substrates from deterioration by micro-organisms JANSSEN PHARMACEUTICA N.V. (BE) 1981-10-21 EP claimed
US-4160838-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-07-10 US claimed
US-4079062-A ANTIMICROBIAL, PLANT GROWTH REGULATORS; 1-(B-ARYL)ETHYL-1H-1,2,4-TRIAZOLE KETALS JANSSEN PHARMACEUTICA N.V. (BE) 1978-03-14 US claimed
US-20170049105-A1 FUNGICIDAL MIXTURES BASED ON TRIAZOLES BASF SE (DE) 2017-02-23 US disclosed
US-20110245280-A1 FRUGICIDAL MIXTURES BASED ON TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2011-10-06 US disclosed
US-6441016-B2 COMPRISING A COPPER COMPOUND, AN ALKANOLAMINE, AND A PHOSPHONIUM COMPOUND OR A TRIAZOLE COMPOUND AND AN EMULSIFIER; GOOD ACTIVITY AGAINST BASIDIOMYCETES DR. WOLMAN GMBH (DE) 2002-08-27 US disclosed
US-20010047015-A1 Pharmaceutical composition for inhibiting the growth of cancers CAMDEN JAMES BERGER (US) 2001-11-29 US disclosed
US-20010039291-A1 Compositions and methods of treatment for cancer or viral infections THE PROCTER & GAMBLE COMPANY 2001-11-08 US disclosed
US-20010006684-A1 WOOD PRESERVATIVES GOETTSCHE REIMER (DE) 2001-07-05 US disclosed
US-6228876-B1 ADMINISTERING 1-(1,3-DIOXOLAN-2-YLMETHY)L- OR 1-(1,3-DIOXAN-2-YLMETHYL)-1H-1,2,4-TRIAZOLE DERIVATIVE THE PROCTER & GAMBLE COMPANY 2001-05-08 US disclosed
US-6200992-B1 ADMINISTERING 1H-1,2,4-TRIAZOLE DERIVATIVE, CHEMOTHERAPEUTIC AGENT, AND POTENTIATOR; ANTICARCINOGENIC, ANTITUMOR AGENTS THE PROCTER & GAMBLE COMPANY 2001-03-13 US disclosed
US-6110953-A Pharmaceutical composition for inhibiting the growth of cancers THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US disclosed
US-6025377-A 1H-1,2,4-TRIAZOLE DERIVATIVE. THESE COMPOUNDS CAN ALSO BE USED TO TREAT VIRAL INFECTIONS. THE PROCTER & GAMBLE COMPANY (US) 2000-02-15 US disclosed
EP-0954309-A1 HIV AND CANCER TREATMENT THE PROCTER & GAMBLE COMPANY (US) 1999-11-10 EP disclosed
US-5872142-A 1,3-DIOXANE OR -DIOXOLANE DERIVATIVES OF 1H-1,2,4-TRIAZOLE THE PROCTER & GAMBLE COMPANY (US) 1999-02-16 US disclosed
US-5853766-A Wood preservatives DR. WOLMAN GMBH (DE) 1998-12-29 US disclosed
WO-1998051303-A1 HIV AND CANCER TREATMENT THE PROCTER & GAMBLE COMPANY (US) 1998-11-19 WO disclosed
US-5770616-A 1,2,4-TRIAZOLE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-06-23 US disclosed
EP-0831814-A1 USE OF 1,2,4-TRIAZOLE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1998-04-01 EP disclosed
US-5635217-A IMPREGNATING WITH A COPPER COMPOUND, AN ALKANOLAMINE, AN EMULSIFIER AND/OR A PHOSPHONIUM COMPOUND DR. WOLMAN GMBH (DE) 1997-06-03 US disclosed
WO-1996040119-A1 USE OF 1,2,4-TRIAZOLE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1996-12-19 WO disclosed
EP-0482433-B1 Wood preserving agents containing polymeric nitrogen compounds and metal fixing acids WOLMAN GMBH DR (DE) 1995-01-25 EP disclosed
EP-0514644-B1 Wood preservative WOLMAN GMBH DR (DE) 1994-11-02 EP disclosed
EP-0423674-B1 Wood preservative containing polymeric nitrogen compounds WOLMAN GMBH DR (DE) 1994-09-21 EP disclosed
US-5186947-A Copper and zinc compounds, a metal fixing acid, and a polyethylenimine washout reducing compound DR. WOLMAN GMBH (DE) 1993-02-16 US disclosed
US-5187194-A Metal compound of an n-organyldiazeniumdioxy compound and a complexing agent DR. WOLMAN GMBH (DE) 1993-02-16 US disclosed
EP-0252875-B1 MICROBICIDAL AGENT CIBA-GEIGY AG (CH) 1993-01-27 EP disclosed
EP-0514644-A2 Wood preservative Dr. Wolman GmbH (DE) 1992-11-25 EP disclosed
EP-0482433-A1 Wood preserving agents containing polymeric nitrogen compounds and metal fixing acids Dr. Wolman GmbH (DE) 1992-04-29 EP disclosed
US-5026719-A Synergistic combination of triazole fungicide and morpholine alkylarylsulfonate CIBA-GEIGY CORPORATION (US) 1991-06-25 US disclosed
US-4742071-A Novel 2-aryl-2-azolylmethyl-1,3-dioxepine fungicides BAYER AKTIENGESELLSCHAFT (DE) 1988-05-03 US disclosed
EP-0252875-A2 Microbicidal agent CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed
EP-0102578-B1 2-ARYL-2-AZOLYL-METHYL-1,3-DIOXEPINES BAYER AG (DE) 1986-07-30 EP disclosed
US-4559355-A AGRICULTURE BAYER AKTIENGESELLSCHAFT (DE) 1985-12-17 US disclosed
EP-0102578-A2 2-Aryl-2-azolyl-methyl-1,3-dioxepines BAYER AG (DE) 1984-03-14 EP disclosed
EP-0102578-A2 2-Aryl-2-azolyl-methyl-1,3-dioxepines BAYER AG (DE) 1984-03-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010047015-A1 Pharmaceutical composition for inhibiting the growth of cancers MKI67, CCNI, MYC CYP3A4 152/4885THRB 1259/4885CYP2C9 1609/4885
US-20110245280-A1 FRUGICIDAL MIXTURES BASED ON TRIAZOLES CYP4B1, CYP4F2, CYP4F3 CYP3A4 8/4885THRB 672/4885CYP2C9 15/4885
US-20170049105-A1 FUNGICIDAL MIXTURES BASED ON TRIAZOLES CYP3A43, CYP3A7, CYP2E1 CYP3A4 14/4885THRB 1074/4885CYP2C9 22/4885
US-20010006684-A1 WOOD PRESERVATIVES PHOSPHO1, PSEN1, PSEN2 CYP3A4 533/4885THRB 3440/4885CYP2C9 2328/4885
US-20010039291-A1 Compositions and methods of treatment for cancer or viral infections TP53, HAVCR2, MAVS CYP3A4 1564/4885THRB 1657/4885CYP2C9 4491/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.