SCHEMBL5952792

SCHEMBL5952792

CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)Nc3ccc(C(F)(F)F)cc3N)c2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 10/20 0.45
EP300 Q09472 2/20 0.43
CREBBP Q92793 2/20 0.43
BRD4 O60885 1/20 0.43
NR1H2 P55055 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CFTR P13569 1/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL13374010 0.85 RBP4 (0.41) RBP4EP300CREBBPNR1H2
SCHEMBL5951628 0.82 RBP4 (0.39) RBP4EP300CREBBPNR1H2MEN1
SCHEMBL5952658 0.79 HDAC1 (0.41) BRD4RXFP1
SCHEMBL5952800 0.77 RBP4 (0.42) RBP4EP300CREBBPBRD4NR1H2
SCHEMBL1337440 0.77 MAPK1 (0.45) RBP4EP300CREBBPBRD4NR1H2
SCHEMBL29386147 0.76 RBP4 (0.42) RBP4EP300CREBBPBRD4NR1H2
SCHEMBL30074122 0.76 EP300 (0.55) RBP4EP300CREBBPBRD4MAPT
SCHEMBL2977256 0.75 MAPK1 (0.57) EP300CREBBPBRD4MAPTGPR119
SCHEMBL25430237 0.74 ADORA1 (0.43) RBP4EP300CREBBPBRD4NR1H2
SCHEMBL22482006 0.74 RBP4 (0.41) RBP4EP300CREBBPBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 RBP4 4853/4885EP300 1058/4885CREBBP 1474/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A RBP4 4867/4885EP300 1361/4885CREBBP 1852/4885

“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.