SCHEMBL1581152

SCHEMBL1581152

COc1ccc(CNC(=O)c2ccc(OC)c3[nH]c(-c4cccs4)nc23)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PBK Q96KB5 6/20 0.52
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ PKM P14618 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ APEX1 P27695 1/20 0.47

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 0.85 PBK (0.55) PBKGSK3B
SCHEMBL1581204 0.84 ERCC1 (0.55) PBKGSK3B
SCHEMBL1580724 0.84 GSK3B (0.59) PBKKMT2AMAPTLMNAGSK3B
SCHEMBL2318836 0.83 GSK3B (0.56) PBKKMT2AMAPTLMNAGSK3B
SCHEMBL2318255 0.82 PBK (0.53) PBKGSK3B
SCHEMBL1581077 0.82 PBK (0.66) PBKGSK3B
SCHEMBL1580618 0.81 ERCC1 (0.52) PBKKMT2AKDM4EMEN1ALDH1A1
SCHEMBL2312880 0.81 GSK3B (0.53) PBKGSK3BSMN1; SMN2
SCHEMBL2313936 0.80 GSK3B (0.55) PBKGSK3B
SCHEMBL1581159 0.80 PBK (0.49) PBKKMT2AKDM4EMEN1ALDH1A1

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 PBK 2361/4885KMT2A 2811/4885KDM4E 1394/4885

“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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