SCHEMBL13280215

SCHEMBL13280215

Cc1[nH]c(=O)c(C#N)c(C(F)(F)F)c1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 13/20 0.49
▸ ALDH1A1 P00352 13/20 0.49
▸ GAA P10253 10/20 0.49
▸ HPGD P15428 9/20 0.49
▸ GLA P06280 9/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ATM Q13315 2/20 0.46
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ UPP1 Q16831 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35

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 0.78 KDM4E (0.61) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL22890710 0.75 UPP1 (0.48) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL13276959 0.72 KDM4E (0.46) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL20340092 0.72 KDM4E (0.38) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL13280124 0.70 KDM4E (0.47) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL20340085 0.68 KDM4E (0.44) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL3797196 0.67 KDM4E (0.68) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL16740934 0.66 KDM4E (0.49) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL20339960 0.66 KDM4E (0.38) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL23782842 0.66 PDE9A (0.50) KDM4EALDH1A1GAAHPGDGLA

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
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
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
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
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 358/4885GAA 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.

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