SCHEMBL5951637

SCHEMBL5951637

Cc1cc(N(N)C(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.38
NR1H2 P55055 1/20 0.38
RBP4 P02753 5/20 0.36
F12 P00748 3/20 0.36
EP300 Q09472 3/20 0.35
CREBBP Q92793 3/20 0.35
C5AR1 P21730 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NAMPT P43490 1/20 0.34
IGF1R P08069 1/20 0.34
PIK3CD O00329 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
SCHEMBL5952800 0.83 RBP4 (0.42) ESR2NR1H2RBP4EP300CREBBP
SCHEMBL2966970 0.79 MAPK1 (0.49) ESR2NR1H2CREBBPC5AR1
SCHEMBL17870541 0.76 RBP4 (0.39) ESR2NR1H2RBP4EP300CREBBP
SCHEMBL5952667 0.76 SMN1; SMN2 (0.39)
SCHEMBL5951628 0.76 RBP4 (0.39) ESR2NR1H2RBP4F12EP300
SCHEMBL17870535 0.75 RBP4 (0.39) ESR2NR1H2RBP4EP300CREBBP
SCHEMBL5070031 0.75 F12 (0.41) ESR2NR1H2F12C5AR1MEN1
SCHEMBL25430237 0.75 ADORA1 (0.43) ESR2NR1H2RBP4F12EP300
SCHEMBL4792110 0.74 ADORA1 (0.46) ESR2NR1H2RBP4EP300CREBBP
SCHEMBL14520683 0.74 ESR2 (0.41) ESR2NR1H2RBP4EP300CREBBP

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 6 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-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 ESR2 4683/4885NR1H2 4697/4885RBP4 4853/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ESR2 4729/4885NR1H2 4740/4885RBP4 4867/4885

“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.