SCHEMBL4346855

SCHEMBL4346855

Cc1cccc2[nH]c(CO)nc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGAM O43451 13/20 0.51
GAA P10253 13/20 0.51
SI P14410 13/20 0.51
MGAM2 Q2M2H8 13/20 0.51
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ESR1 P03372 1/20 0.46
CBFB Q13951 1/20 0.46

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
SCHEMBL4359045 0.85 MGAM (0.51) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4919548 0.84 DDAH1 (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL30518181 0.84 DDAH1 (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7409334 0.82 MGAM (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4062820 0.82 MGAM (0.51) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL23497514 0.81 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL7416048 0.81 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
Bromide SCHEMBL844133 0.81 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1917210 0.81 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9533100 0.80 GRIN1 (0.55) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3112968-A None JP disclosed
EP-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 EP disclosed
US-9323153-B2 Actinic ray-sensitive or radiation-sensitive resin composition, and, actinic ray-sensitive or radiation-sensitive film and pattern forming method, each using the same FUJIFILM CORPORATION (JP) 2016-04-26 US disclosed
US-9323153-B2 Actinic ray-sensitive or radiation-sensitive resin composition, and, actinic ray-sensitive or radiation-sensitive film and pattern forming method, each using the same FUJIFILM CORPORATION (JP) 2016-04-26 US disclosed
US-20150004533-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD, EACH USING THE SAME FUJIFILM CORPORATION (JP) 2015-01-01 US disclosed
US-20150004533-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD, EACH USING THE SAME FUJIFILM CORPORATION (JP) 2015-01-01 US disclosed
EP-1572966-B1 COMPLETE BIOSYNTHETIC GENE SET FOR SYNTHESIS OF POLYKETIDE ANTIBIOTICS, INCLUDING THE ALBICIDIN FAMILY, RESISTANCE GENES AND USES THEREOF UNIV FLORIDA (US) 2014-04-16 EP disclosed
WO-2013147286-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD, EACH USING THE SAME FUJIFILM CORPORATION (JP) 2013-10-03 WO disclosed
US-7510852-B2 Biosynthetic genes and host cells for the synthesis of polyketide antibiotics and method of use CENTRE DE COOPERATION INTERNATIONALE EN RECHERCHE AGRONOMIQUE POUR LE DEVELOPPEMENT (CIRAD) (FR) 2009-03-31 US disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
US-20040058934-A1 Heterocyclic compounds JANSSEN PHARMACEUTIC, N.V. (BE) 2004-03-25 US disclosed
WO-2004022060-A2 (1H-BENZOIMIDAZOL-2-YL)-(PIPERAZINYL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO disclosed
US-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase MICHEJDA CHRISTOPHER J (US) 2003-10-09 US disclosed
EP-0963371-B1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE US GOV HEALTH & HUMAN SERV (US) 2003-05-02 EP disclosed
EP-1210336-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, as represented by the Secretary of the Department of Health and Human Services (US) 2002-06-05 EP disclosed
US-6369235-B1 INHIBITORS OF HIV REVERSE TRANSCRIPTION FOR TREATMENT OF AIDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-09 US disclosed
WO-2001014343-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-03-01 WO disclosed
EP-0963371-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-15 EP disclosed
WO-1998037072-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-08-27 WO disclosed
JP-H03112968-A PREPARATION OF 2-AMINOBENZIMIDAZOLE CIBA GEIGY AG 1991-05-14 JP 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 (2 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-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase SAMHD1, DUT, TYMP MGAM 1525/4885GAA 236/4885SI 1469/4885
US-20040058934-A1 Heterocyclic compounds HRH4, HRH2, HRH1 MGAM 4379/4885GAA 1544/4885SI 1560/4885

“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.