SCHEMBL960141

SCHEMBL960141

COc1cc(N=C=S)ccc1-c1nc(C)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
TP53 P04637 6/20 0.44
KDM4E B2RXH2 6/20 0.44
HSD17B10 Q99714 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHEK1 O14757 1/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
HPGD P15428 2/20 0.38
S1PR1 P21453 2/20 0.38
PSEN1 P49768 2/20 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
SCHEMBL964377 0.81 BRD4 (0.40) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL12918148 0.76 CHEK1 (0.41) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL964682 0.75 ACHE (0.53) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL4854918 0.75 CHEK1 (0.48) NPC1RAB9ASMN1; SMN2TP53KDM4E
Iodide SCHEMBL961213 0.75 CHEK1 (0.40) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL5660762 0.71 RAB9A (0.61) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL18031476 0.71 KMT2A (0.54) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL6179404 0.71 P2RY6 (0.38) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL76835 0.70 HTR3E (0.53) KDM4EHSD17B10ALDH1A1MAPTTDP1
SCHEMBL18031477 0.70 MAPT (0.53) NPC1RAB9ASMN1; SMN2TP53KDM4E

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
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 NPC1 348/4885RAB9A 2428/4885SMN1; SMN2 871/4885

“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.