SCHEMBL12237446

SCHEMBL12237446

COC(=O)c1ccc(OC)c(NC(=N)c2ccc(Br)s2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 3/20 0.46
PPARG P37231 1/20 0.44
NCOA1 Q15788 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MAPT P10636 3/20 0.44
CYP2C9 P11712 1/20 0.44
HDAC1 Q13547 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC8 Q9BY41 4/20 0.43
CREBBP Q92793 1/20 0.43
NOTUM Q6P988 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MDH1 P40925 1/20 0.41
MDH2 P40926 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
Hydrochloric Acid SCHEMBL2334390 0.99 KMT2A (0.52) KMT2AMEN1POLBPPARGNCOA1
Hydrochloric Acid SCHEMBL2426974 0.89 KMT2A (0.52) KMT2AMEN1POLBPPARGHDAC1
SCHEMBL1579974 0.83 KMT2A (0.53) KMT2AMEN1POLBMAPTTP53
SCHEMBL1554111 0.78 HDAC1 (0.58) KMT2AMEN1POLBNPSR1MAPT
SCHEMBL1554272 0.77 MAPT (0.54) KMT2AMEN1POLBMAPTCYP2C9
SCHEMBL13425100 0.77 MAPT (0.58) KMT2AMEN1POLBMAPTCYP2C9
Hydrochloric Acid SCHEMBL1579963 0.77 HDAC1 (0.56) KMT2AMEN1POLBNPSR1MAPT
SCHEMBL4627658 0.77 SMN1; SMN2 (0.49) KMT2AMEN1POLBMAPTCYP2C9
SCHEMBL1751788 0.75 PPARG (0.58) KMT2AMEN1POLBPPARGNCOA1
Hydrochloric Acid SCHEMBL2229624 0.75 MAPT (0.55) KMT2AMEN1POLBMAPTCYP2C9

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-20110301146-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES ONCOTHERAPY SCIENCE, INC. (JP) 2011-12-08 US disclosed
US-20110301146-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES ONCOTHERAPY SCIENCE, INC. (JP) 2011-12-08 US disclosed
US-20110263566-A1 7-Hydroxy-benzoimidazole-4-yl-methanone Derivatives and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-27 US disclosed
US-20110263566-A1 7-Hydroxy-benzoimidazole-4-yl-methanone Derivatives and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-27 US disclosed
WO-2010058512-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES ONCOTHERAPY SCIENCE, INC. (JP) 2010-05-27 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-20110263566-A1 7-Hydroxy-benzoimidazole-4-yl-methanone Derivatives and PBK Inhibitors Containing the Same PDXK, BCKDK, SBK1 KMT2A 1937/4885MEN1 2904/4885POLB 1141/4885
US-20110301146-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES GSK3B, GSK3A, GYS2 KMT2A 2496/4885MEN1 2637/4885POLB 810/4885

“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.