SCHEMBL2317348

SCHEMBL2317348

COc1cccc2nc(C3CC3)n(C(=O)O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.45
CNR2 P34972 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.39
CNR1 P21554 2/20 0.39
FGFR1 P11362 1/20 0.38
RIPK2 O43353 1/20 0.38
RET P07949 1/20 0.38
NQO2 P16083 1/20 0.38
CSNK2A2 P19784 1/20 0.38
FECH P22830 1/20 0.38
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPK10 P53779 1/20 0.38
PRKDC P78527 1/20 0.38

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
SCHEMBL2315140 0.71 ALDH1A1 (0.52) TSHRALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL15971081 0.69 KDM4E (0.44) TSHRALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL9354562 0.66 CA12 (0.44) ALDH1A1LMNASMN1; SMN2ALOX15NQO2
SCHEMBL14764575 0.65 PDE10A (0.56) TSHRALDH1A1LMNA
SCHEMBL4969596 0.64 MEN1 (0.43) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6653731 0.63 FGFR1 (0.50) ALDH1A1LMNASMN1; SMN2ALOX15FGFR1
SCHEMBL21390823 0.63 GAA (0.47) ALDH1A1SMN1; SMN2ALOX15GAAMEN1
SCHEMBL30405202 0.62 FABP4 (0.48) ALDH1A1LMNASMN1; SMN2CA12CA1
SCHEMBL5459067 0.60 PRMT5 (0.60) ALDH1A1LMNASMN1; SMN2FGFR1NQO2
SCHEMBL5201225 0.60 PDE4A (0.41) ALDH1A1LMNASMN1; SMN2NQO2

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-20110263566-A1 7-Hydroxy-benzoimidazole-4-yl-methanone Derivatives and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-27 US disclosed
EP-2358365-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES Oncotherapy Science, Inc. (JP) 2011-08-24 EP 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 TSHR 4682/4885ALDH1A1 3422/4885LMNA 1315/4885
US-20110301146-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES GSK3B, GSK3A, GYS2 TSHR 4633/4885ALDH1A1 2795/4885LMNA 553/4885
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same GSK3B, GSK3A, GYS2 TSHR 4605/4885ALDH1A1 2860/4885LMNA 1045/4885

“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.