SCHEMBL13280124

SCHEMBL13280124

CCCc1c(F)c(C)[nH]c(=O)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.47
▸ ALDH1A1 P00352 11/20 0.47
▸ HPGD P15428 9/20 0.47
▸ GLA P06280 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CYP1A2 P05177 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ UPP1 Q16831 2/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL1694758 0.75 KDM4E (0.61) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL15711085 0.73 PDE3B (0.45) KDM4EALDH1A1HPGDHSD17B10PDE3B
SCHEMBL25632905 0.71 MAPK1 (0.35) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6625526 0.71 UPP1 (0.66) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL13280215 0.70 KDM4E (0.49) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL13276959 0.70 KDM4E (0.46) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL3794931 0.69 KDM4E (0.64) KDM4EALDH1A1HPGDATMCYP2C9
SCHEMBL1539851 0.67 MAPT (0.67) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL26354493 0.66 UPP1 (0.51) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6543058 0.66 UPP1 (0.51) KDM4EALDH1A1HPGDGLAGAA

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 10 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-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
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

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 358/4885HPGD 133/4885
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL KDM4E 711/4885ALDH1A1 358/4885HPGD 133/4885

“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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