SCHEMBL5951628

SCHEMBL5951628

Cc1cc(NC(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)c(N)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 1/20 0.38
C5AR1 P21730 3/20 0.36
ESR2 Q92731 1/20 0.36
F12 P00748 3/20 0.36
EP300 Q09472 2/20 0.36
CREBBP Q92793 2/20 0.36
NAMPT P43490 1/20 0.36
ADORA1 P30542 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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 0.93 RBP4 (0.41) RBP4NR1H2C5AR1ESR2F12
SCHEMBL5952792 0.82 RBP4 (0.45) RBP4MEN1KMT2ANR1H2EP300
SCHEMBL29386147 0.77 RBP4 (0.42) RBP4NR1H2ESR2EP300CREBBP
SCHEMBL30074122 0.77 EP300 (0.55) RBP4C5AR1EP300CREBBP
SCHEMBL5070030 0.77 F12 (0.41) NR1H2C5AR1ESR2F12ADORA1
SCHEMBL5951637 0.76 ESR2 (0.38) RBP4MEN1KMT2ANR1H2C5AR1
SCHEMBL5952658 0.75 HDAC1 (0.41) NAMPTHDAC1
SCHEMBL25430237 0.75 ADORA1 (0.43) RBP4NR1H2C5AR1ESR2F12
SCHEMBL14520683 0.74 ESR2 (0.41) RBP4NR1H2ESR2EP300CREBBP
SCHEMBL4792110 0.74 ADORA1 (0.46) RBP4KMT2ANR1H2ESR2EP300

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 4853/4885MEN1 2639/4885KMT2A 1678/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A RBP4 4867/4885MEN1 1460/4885KMT2A 1844/4885

“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.