SCHEMBL1307752

SCHEMBL1307752

CC(C)(C)c1ccccc1Oc1sccc1N=C=S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 12/20 0.37
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
ATM Q13315 1/20 0.31
CYP1A2 P05177 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ABCB11 O95342 1/20 0.31
NR3C1 P04150 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ADRA2C P18825 1/20 0.31
MAOA P21397 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2B P41595 1/20 0.31
CCR2 P41597 1/20 0.31

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
SCHEMBL1307764 0.81 ALDH1A1 (0.40) P2RY1ALDH1A1POLBTDP1ATM
SCHEMBL1135493 0.74 APLNR (0.58) P2RY1APLNR
SCHEMBL1307238 0.73 P2RY1 (0.39) P2RY1ALDH1A1TDP1ATMCYP1A2
SCHEMBL1307934 0.73 P2RY1 (0.36) P2RY1ALDH1A1POLBTDP1APLNR
SCHEMBL2698868 0.71 ALDH1A1 (0.47) ALDH1A1POLBTDP1CYP1A2HSD17B10
SCHEMBL1307314 0.71 APLNR (0.42) P2RY1ALDH1A1TDP1CYP1A2HSD17B10
SCHEMBL1308874 0.70 APLNR (0.35) P2RY1APLNR
SCHEMBL15721685 0.70 P2RY1 (0.35) P2RY1ALDH1A1TDP1CYP1A2HSD17B10
SCHEMBL127278 0.69 ALDH1A1 (0.48) P2RY1ALDH1A1TDP1ATMCYP1A2
SCHEMBL30500977 0.69 ALDH1A1 (0.48) P2RY1ALDH1A1TDP1ATMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053450-B2 P2Y1 Purinoreceptor; thromboembolic disorders; compounds are 2-((hetero)arylamino) benzimidazoles, benzoxazoles or benzothiazoles such as [2-(2-tert-butyl-phenoxy)-pyridin-3-yl]-(6-methyl-1H-benzoimidazol-2-yl)-amine BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-08 US disclosed
US-8053450-B2 P2Y1 Purinoreceptor; thromboembolic disorders; compounds are 2-((hetero)arylamino) benzimidazoles, benzoxazoles or benzothiazoles such as [2-(2-tert-butyl-phenoxy)-pyridin-3-yl]-(6-methyl-1H-benzoimidazol-2-yl)-amine BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-08 US disclosed
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
EP-1706398-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2006-10-04 EP disclosed
US-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 US disclosed
WO-2005070920-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-04 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 (2 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-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors P2RY1, P2RY11, P2RY2 P2RY1 1/4885ALDH1A1 1996/4885POLB 4168/4885
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS P2RY1, P2RY11, P2RY2 P2RY1 1/4885ALDH1A1 1823/4885POLB 4384/4885

“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.