SCHEMBL12237376

SCHEMBL12237376

COC(=O)c1ccc(OC)c(NC(=N)C2CCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.54
PDE4D Q08499 1/20 0.54
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.46
CYP2C9 P11712 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PDE5A O76074 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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 SCHEMBL1580300 0.99 PDE4B (0.53) PDE4BPDE4DALDH1A1KDM4EHPGD
SCHEMBL12388579 0.95 KDM4E (0.54) PDE4BPDE4DALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL1580067 0.94 KDM4E (0.53) PDE4BPDE4DALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL1579914 0.89 PDE4B (0.53) PDE4BPDE4DSMN1; SMN2MEN1KMT2A
SCHEMBL12237375 0.84 MAPK1 (0.52) PDE4BPDE4DKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL1580247 0.83 MAPK1 (0.51) PDE4BPDE4DKDM4EMEN1KMT2A
SCHEMBL13425100 0.79 MAPT (0.58) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL1554272 0.79 MAPT (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL2338247 0.79 TSHR (0.46) PDE4BPDE4DALDH1A1KDM4EHPGD
SCHEMBL28648073 0.77 ALDH1A1 (0.52) PDE4BPDE4DALDH1A1KDM4EHPGD

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 7 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
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-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 (3 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 PDE4B 2687/4885PDE4D 3525/4885ALDH1A1 3422/4885
US-20110301146-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES GSK3B, GSK3A, GYS2 PDE4B 1718/4885PDE4D 2286/4885ALDH1A1 2795/4885
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same GSK3B, GSK3A, GYS2 PDE4B 1840/4885PDE4D 1792/4885ALDH1A1 2860/4885

“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.