SCHEMBL13280433

SCHEMBL13280433

COC(=O)c1cc(Br)cc(NC2CCCC2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 18/20 0.48
YAP1 P46937 1/20 0.48
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL13280405 0.86 YAP1 (0.50) OPRK1YAP1KDM4EALDH1A1
SCHEMBL13276979 0.85 YAP1 (0.52) OPRK1YAP1KDM4EALDH1A1
SCHEMBL28525633 0.84 YAP1 (0.51) OPRK1YAP1KDM4E
SCHEMBL13276681 0.84 YAP1 (0.54) OPRK1YAP1KDM4E
SCHEMBL19391535 0.81 YAP1 (0.48) OPRK1YAP1KDM4EALDH1A1
SCHEMBL4583665 0.80 YAP1 (0.55) OPRK1YAP1KDM4EALDH1A1
SCHEMBL31535175 0.78 YAP1 (0.50) OPRK1YAP1KDM4EALDH1A1
SCHEMBL8833932 0.78 YAP1 (0.62) OPRK1YAP1KDM4EALDH1A1
SCHEMBL15566591 0.74 ABCG2 (0.47) OPRK1YAP1KDM4EALDH1A1
SCHEMBL13279855 0.74 YAP1 (0.52) OPRK1YAP1KDM4EALDH1A1

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 11 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
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
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 OPRK1 2381/4885YAP1 1845/4885KDM4E 711/4885
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL OPRK1 2381/4885YAP1 1845/4885KDM4E 711/4885

“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.