SCHEMBL1581204

SCHEMBL1581204

COc1ccc(C(=O)NCCNC(C)=O)c2nc(-c3cccs3)[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 2/20 0.55
▸ FEN1 P39748 2/20 0.55
▸ ERCC4 Q92889 2/20 0.55
▸ DNASE1 P24855 1/20 0.55
▸ PBK Q96KB5 15/20 0.54
▸ GSK3B P49841 3/20 0.54

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
SCHEMBL2313528 0.91 PBK (0.55) ERCC1FEN1ERCC4PBKGSK3B
SCHEMBL2312880 0.89 GSK3B (0.53) PBKGSK3B
SCHEMBL2318255 0.89 PBK (0.53) PBKGSK3B
SCHEMBL1580820 0.88 PBK (0.68) ERCC1FEN1ERCC4DNASE1PBK
SCHEMBL1580724 0.86 GSK3B (0.59) PBKGSK3B
SCHEMBL2313936 0.86 GSK3B (0.55) ERCC1FEN1ERCC4PBKGSK3B
SCHEMBL2314477 0.86 PBK (0.49) PBKGSK3B
SCHEMBL2318836 0.85 GSK3B (0.56) PBKGSK3B
SCHEMBL1581358 0.85 PBK (0.48) PBKGSK3B
SCHEMBL2313271 0.84 PBK (0.61) PBKGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-08-04 — — US disclosed
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-08-04 — — US disclosed
EP-2309855-A1 BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME Oncotherapy Science, Inc. (JP) 2011-04-20 — — EP disclosed
WO-2010014794-A1 BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2010-02-04 — — WO disclosed
WO-2010014794-A1 BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2010-02-04 — — 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 (1 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-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same GSK3B, GSK3A, GYS2 ERCC1 4561/4885FEN1 3268/4885ERCC4 3639/4885

“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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