SCHEMBL13280087

SCHEMBL13280087

COC(=O)c1cc(Cl)cc(NC2CCN(C(=O)OC(C)(C)C)CC2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ STS P08842 5/20 0.50
▸ MAPT P10636 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ EED O75530 1/20 0.49
▸ RBBP4 Q09028 1/20 0.49
▸ SUZ12 Q15022 1/20 0.49
▸ EZH2 Q15910 1/20 0.49
▸ AEBP2 Q6ZN18 1/20 0.49
▸ CNR1 P21554 4/20 0.48
▸ BRD4 O60885 1/20 0.44
▸ DYRK1A Q13627 1/20 0.43
▸ CNR2 P34972 2/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ NSD2 O96028 1/20 0.42
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL13280258 0.89 STS (0.42) ALDH1A1STSMAPTNPC1MAPK1
SCHEMBL13277341 0.87 ALDH1A1 (0.51) ALDH1A1STSMAPTNPC1MAPK1
SCHEMBL28165681 0.87 ALDH1A1 (0.48) ALDH1A1STSMAPTNPC1MAPK1
SCHEMBL13281830 0.85 OPRK1 (0.41) ALDH1A1MAPTCNR1
SCHEMBL15710272 0.85 STS (0.52) ALDH1A1STSMAPTNPC1MAPK1
SCHEMBL28848213 0.85 ALDH1A1 (0.51) ALDH1A1STSMAPTNPC1MAPK1
SCHEMBL15819407 0.84 OPRK1 (0.40) ALDH1A1MAPTCNR1TP53
SCHEMBL15864922 0.83 EED (0.49) STSEEDRBBP4SUZ12EZH2
SCHEMBL13280699 0.83 BTK (0.40) ALDH1A1L3MBTL1
SCHEMBL15710041 0.83 BTK (0.40) ALDH1A1L3MBTL1

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 24 patents — showing the first 20. 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
EP-2935214-B1 1,4-PYRIDONE COMPOUNDS EPIZYME INC (US) 2019-02-20 — — EP disclosed
US-10150764-B2 Substituted benzene compounds Epizyme, Inc. (US) 2018-12-11 — — US disclosed
EP-3022184-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2017-09-27 — — 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-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-07-07 — — US disclosed
US-20150344427-A1 1,4-PYRIDONE COMPOUNDS Epizyme, Inc. (US) 2015-12-03 — — US disclosed
EP-2935214-A1 1,4-PYRIDONE COMPOUNDS Epizyme, Inc. (US) 2015-10-28 — — EP disclosed
WO-2015010049-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2015-01-22 — — WO disclosed
WO-2014100646-A1 1,4-PYRIDONE COMPOUNDS Epizyme, Inc. (US) 2014-06-26 — — WO 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

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-20150344427-A1 1,4-PYRIDONE COMPOUNDS PDXK, PNPO, PLPBP ALDH1A1 262/4885STS 3027/4885MAPT 3910/4885
US-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL ALDH1A1 358/4885STS 376/4885MAPT 4181/4885
US-20140142083-A1 Substituted Benzene Compounds CYP1B1, TP53, VHL ALDH1A1 358/4885STS 376/4885MAPT 4181/4885
US-10150764-B2 Substituted benzene compounds CYP1B1, TP53, VHL ALDH1A1 358/4885STS 376/4885MAPT 4181/4885
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL ALDH1A1 358/4885STS 376/4885MAPT 4181/4885

“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.

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