SCHEMBL2872168

SCHEMBL2872168

Oc1cc[c]c2nc(-c3cccs3)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
PBK Q96KB5 10/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5539263 0.75 HPGD (0.58) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL10412607 0.72 GAA (0.61) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL10412604 0.70 GAA (0.57) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL1580887 0.69 PBK (0.66) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL2340010 0.67 PBK (0.60) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL6783432 0.67 ADORA3 (0.51) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL5541674 0.66 ALDH1A1 (0.58) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL13495258 0.65 KDM4E (0.51) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL1581142 0.64 ERCC1 (0.52) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL11183576 0.64 RPS6KB2 (0.42) KDM4EALDH1A1HPGDMAPTMEN1

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-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
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
WO-2010051085-A1 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2010-05-06 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-20110301146-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES GSK3B, GSK3A, GYS2 KDM4E 812/4885ALDH1A1 2795/4885HPGD 1587/4885

“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.