SCHEMBL5100101

SCHEMBL5100101

CCc1ccc(C(=O)Cc2ncc[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
HTR1A P08908 1/20 0.44
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CXCR4 P61073 1/20 0.43
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NAMPT P43490 1/20 0.42
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
PLK1 P53350 1/20 0.40
NPC1 O15118 2/20 0.39

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
SCHEMBL5093427 0.81 RAB9A (0.53) ALDH1A1RAB9AKDM4EHPGDHSD17B10
SCHEMBL10610629 0.81 FPR2 (0.56) ALDH1A1RAB9AKDM4EHPGDHSD17B10
SCHEMBL10363200 0.81 NPC1 (0.54) TAAR1ALDH1A1RAB9AKDM4EHSD17B10
SCHEMBL4968860 0.81 GAA (0.61) TAAR1ALDH1A1RAB9AKDM4EHPGD
Hydrochloric Acid SCHEMBL5851393 0.80 GAA (0.59) TAAR1ALDH1A1KDM4EHPGDGAA
SCHEMBL18617522 0.78 ROCK2 (0.50) CXCR4GAASMN1; SMN2NAMPTPLK1
SCHEMBL5091768 0.78 GSK3B (0.49) TAAR1ALDH1A1RAB9AKDM4EGAA
SCHEMBL18617539 0.77 CXCR4 (0.50) TAAR1HTR1AALDH1A1HPGDCXCR4
SCHEMBL17817051 0.77 MAPT (0.57) ALDH1A1RAB9AKDM4EGAAL3MBTL1
SCHEMBL11290384 0.75 TAAR1 (0.67) TAAR1HTR1AALDH1A1SMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB TAAR1 4071/4885HTR1A 2161/4885ALDH1A1 3522/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB TAAR1 4079/4885HTR1A 2100/4885ALDH1A1 3532/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB TAAR1 4079/4885HTR1A 2100/4885ALDH1A1 3532/4885

“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.