SCHEMBL9634892

SCHEMBL9634892

OC(Cn1cncn1)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.50
HTT P42858 3/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 5/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11271596 0.95 CYP19A1 (0.46) CYP19A1HTTKDM4EPOLBKMT2A
SCHEMBL11182570 0.92 POLB (0.43) CYP19A1HTTKDM4EPOLBKMT2A
SCHEMBL11261149 0.84 CYP19A1 (0.43) CYP19A1LMNA
SCHEMBL11273790 0.84 CYP19A1 (0.59) CYP19A1HTTKDM4EPOLBKMT2A
SCHEMBL11188697 0.84 HMOX1 (0.51) CYP19A1POLBKMT2ALMNAMEN1
SCHEMBL11270600 0.84 NPSR1 (0.49) CYP19A1POLBKMT2ALMNAMEN1
SCHEMBL5544140 0.83 TSHR (0.58) CYP19A1HTTPOLBKMT2ALMNA
SCHEMBL7783933 0.83 TSHR (0.58) CYP19A1HTTPOLBKMT2ALMNA
SCHEMBL10970720 0.83 CYP19A1 (0.53) CYP19A1HTTKDM4EPOLBKMT2A
SCHEMBL10958885 0.83 MEN1 (0.47) CYP19A1HTTPOLBKMT2AMEN1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012360-B2 Synergistic combinations of active ingredients BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-21 US disclosed
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
US-8324130-B2 Synergistic active ingredient combinations BAYER CROPSCIENCE AG (DE) 2012-12-04 US disclosed
US-20120035050-A1 Synergistic Combinations Of Active Ingredients BAYER CROPSCIENCE AG (DE) 2012-02-09 US disclosed
US-20090280981-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-11-12 US disclosed
US-5141553-A ETHER DERIVATIVES OF SUBSTITUTED 1-HYDROXYALKYL-AZOLES AS FUNGICIDES AND PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
US-4868196-A Ether derivatives of substituted 1-hydroxyalkyl- azoles as fungicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed
US-4742071-A Novel 2-aryl-2-azolylmethyl-1,3-dioxepine fungicides BAYER AKTIENGESELLSCHAFT (DE) 1988-05-03 US disclosed
EP-0224723-A1 Process for the preparation of beta-hydroxyethyl-azole derivatives BAYER AG (DE) 1987-06-10 EP disclosed
EP-0080071-B1 2-IMIDAZOLYLMETHYL-2-PHENYL-1,3-DIOXOLANES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1987-05-13 EP disclosed
EP-0040744-B1 AMINOPROPIOPHENONE OXIMES, PROCESSES FOR PREPARING THEM AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1984-02-08 EP disclosed
EP-0085333-A2 Ether derivatives from substituted 1-hydroxyalkyl azoles, process for their preparation as well as their use as fungicides and plant-growth regulators BAYER AG (DE) 1983-08-10 EP disclosed
US-4394380-A HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-07-19 US disclosed
EP-0080071-A2 2-Imidazolylmethyl-2-phenyl-1,3-dioxolanes, process for their preparation and their use as fungicides BAYER AG (DE) 1983-06-01 EP disclosed
EP-0068144-A1 1,1-Diphenyl-2-triazolyl-ethanes, their preparation and their application as fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 EP disclosed
US-4349556-A Pesticidally active 1-acyloxy-1-phenyl-2-azolyl-ethanes BAYER AKTIENGESELLSCHAFT (DE) 1982-09-14 US disclosed
US-4315016-A FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-02-09 US disclosed
EP-0040744-A1 Aminopropiophenone oximes, processes for preparing them and their use as fungicides BAYER AG (DE) 1981-12-02 EP disclosed
EP-0040740-A2 Aminopropanol derivatives, process for their preparation and their use as fungicides BAYER AG (DE) 1981-12-02 EP disclosed
US-4102891-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 US 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 (3 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-20120035050-A1 Synergistic Combinations Of Active Ingredients C1S, MAN2B1, MANBA CYP19A1 725/4885HTT 3838/4885KDM4E 4311/4885
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 CYP19A1 51/4885HTT 4294/4885KDM4E 3437/4885
US-20090280981-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS CYP51A1, ERG28, CYP4X1 CYP19A1 18/4885HTT 4568/4885KDM4E 2064/4885

“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.