SCHEMBL2014672

SCHEMBL2014672

COC(=O)c1cncc(N)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
ALDH1A1 P00352 6/20 0.59
GAA P10253 5/20 0.59
GLA P06280 2/20 0.59
TSHR P16473 2/20 0.47
HSD17B10 Q99714 3/20 0.47
CFTR P13569 3/20 0.47
ATM Q13315 2/20 0.44
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ABL1 P00519 1/20 0.42
ALOX15 P16050 1/20 0.41
PTGER4 P35408 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL14893447 0.81 ATM (0.49) KDM4EALDH1A1GAAGLATSHR
SCHEMBL21749982 0.81 KDM4E (0.59) KDM4EALDH1A1GAAGLATSHR
SCHEMBL31214158 0.81 ATM (0.47) KDM4EALDH1A1GAAGLATSHR
SCHEMBL2324842 0.79 KDM4E (0.52) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL30573060 0.78 KDM4E (0.50) KDM4EALDH1A1GAAGLATSHR
SCHEMBL2003190 0.78 KDM4E (0.50) KDM4EALDH1A1GAAGLATSHR
SCHEMBL27185747 0.78 ATM (0.44) KDM4EALDH1A1GAAGLATSHR
SCHEMBL31184958 0.78 ATM (0.44) KDM4EALDH1A1GAAGLATSHR
SCHEMBL9939057 0.78 ATM (0.44) KDM4EALDH1A1GAAGLATSHR
SCHEMBL23898681 0.76 ATM (0.43) KDM4EALDH1A1GAAGLATSHR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 EP disclosed
EP-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 EP disclosed
CN-104066718-B Substituted benzene compounds EPIZYME股份有限公司 2017-08-29 CN disclosed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 EP disclosed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 EP disclosed
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-11-17 US disclosed
US-9376422-B2 Dihidropyridin-2-one benzamine compounds Epizyme, Inc. (US) 2016-06-28 US disclosed
EP-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 EP disclosed
EP-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 EP disclosed
CN-104066718-A Substituted benzene compounds EPIZYME INC 2014-09-24 CN disclosed
US-20140142083-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-05-22 US disclosed
US-20140142083-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-05-22 US disclosed
US-20140142083-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-05-22 US disclosed
EP-2697198-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-02-19 EP disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 WO disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 WO disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO 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-20140142083-A1 Substituted Benzene Compounds CYP1B1, TP53, VHL KDM4E 711/4885ALDH1A1 358/4885GAA 1128/4885
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL KDM4E 711/4885ALDH1A1 358/4885GAA 1128/4885

“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.