SCHEMBL964377

SCHEMBL964377

COc1cc(N=C=S)ccc1-c1cc(C)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
IMPDH2 P12268 1/20 0.38
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HSD17B10 Q99714 3/20 0.34
NPC1 O15118 3/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SHMT2 P34897 1/20 0.33

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
SCHEMBL960141 0.81 NPC1 (0.44) KDM4EALDH1A1TSHRTP53RAB9A
SCHEMBL4702533 0.76 IMPDH2 (0.59) IMPDH2
SCHEMBL12918145 0.75 IMPDH2 (0.44) BRD4IMPDH2KDM4EALDH1A1TSHR
SCHEMBL963294 0.75 IMPDH2 (0.56) BRD4IMPDH2KDM4EALDH1A1TSHR
Iodide SCHEMBL964547 0.74 IMPDH2 (0.43) BRD4IMPDH2KDM4EALDH1A1TSHR
SCHEMBL962710 0.73 PSEN1 (0.37) IMPDH2CYP1A2CYP2C9CYP2C19
SCHEMBL17069010 0.72 BRD4 (0.64) BRD4KDM4EALDH1A1TSHRUSP2
SCHEMBL6179404 0.72 P2RY6 (0.38) KDM4EALDH1A1USP2RAB9AMEN1
SCHEMBL76835 0.71 HTR3E (0.53) KDM4EALDH1A1TSHRUSP2CYP1A2
SCHEMBL960660 0.70 MAPT (0.39) KDM4EALDH1A1USP2RAB9AMEN1

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 BRD4 1340/4885IMPDH2 3308/4885KDM4E 4459/4885

“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.