SCHEMBL963294

SCHEMBL963294

COc1cc(N)ccc1-c1cc(C)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.56
IMPDH1 P20839 1/20 0.56
BRD4 O60885 1/20 0.46
MAPT P10636 4/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NR4A1 P22736 1/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 4/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 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
SCHEMBL17069010 0.79 BRD4 (0.64) BRD4MAPTTSHRGAAKDM4E
SCHEMBL16896898 0.77 BRD4 (0.48) IMPDH2IMPDH1BRD4TSHRLMNA
SCHEMBL964682 0.77 ACHE (0.53) IMPDH2IMPDH1MAPTTSHRGAA
SCHEMBL24987207 0.77 ALDH1A1 (0.52) BRD4MAPTTSHRGAAMAPK1
SCHEMBL3366607 0.76 IMPDH2 (0.61) IMPDH2IMPDH1MAPTTSHRGAA
SCHEMBL961464 0.76 KMT2A (0.51) IMPDH2IMPDH1MAPTTSHRKDM4E
SCHEMBL347390 0.75 MAPT (0.59) IMPDH2IMPDH1MAPTTSHRGAA
SCHEMBL30839714 0.75 MAPT (0.59) IMPDH2IMPDH1MAPTTSHRGAA
SCHEMBL964377 0.75 BRD4 (0.40) IMPDH2BRD4MAPTTSHRKDM4E
SCHEMBL3411035 0.74 IMPDH2 (0.58) IMPDH2IMPDH1MAPTTSHRGAA

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 IMPDH2 3308/4885IMPDH1 3353/4885BRD4 1340/4885

“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.