SCHEMBL2318836

SCHEMBL2318836

COc1ccc(C(=O)NCCc2ccc(F)cc2)c2nc(-c3cccs3)[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.56
▸ CNR2 P34972 3/20 0.51
▸ PBK Q96KB5 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 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
SCHEMBL1580724 0.92 GSK3B (0.59) GSK3BPBKSMN1; SMN2LMNAPOLB
SCHEMBL1581271 0.88 GSK3B (0.67) GSK3BPBK
SCHEMBL2313528 0.86 PBK (0.55) GSK3BPBK
SCHEMBL1581204 0.85 ERCC1 (0.55) GSK3BPBK
SCHEMBL12435383 0.84 GSK3B (0.67) GSK3BPBK
SCHEMBL2318255 0.84 PBK (0.53) GSK3BPBK
SCHEMBL1581152 0.83 PBK (0.52) GSK3BPBKSMN1; SMN2LMNAPOLB
SCHEMBL2313271 0.83 PBK (0.61) GSK3BPBK
SCHEMBL2312880 0.82 GSK3B (0.53) GSK3BPBKSMN1; SMN2NPC1RAB9A
SCHEMBL2313936 0.81 GSK3B (0.55) GSK3BPBK

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 3 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
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 GSK3B 1/4885CNR2 4647/4885PBK 2361/4885

“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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