SCHEMBL4811283

SCHEMBL4811283

CCC(c1ccc(C(=O)NCC(=O)O)cc1-c1ccc(C)cc1C(=O)OCc1ccccc1)c1c[nH]c2cc(C#N)ccc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 18/20 0.40
HAT1 O14929 17/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4815145 0.94 EP300 (0.41) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4815699 0.93 PTPRC (0.39) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4812938 0.91 HAT1 (0.39) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4815682 0.89 CYP1A2 (0.41) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4813347 0.88 P2RX3 (0.38) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4815512 0.88 HAT1 (0.35) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4811272 0.88 HAT1 (0.38) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4815132 0.87 KMT2A (0.38) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4815689 0.84 HAT1 (0.36) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4812575 0.83 HAT1 (0.38) EP300HAT1MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 US 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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 EP300 3029/4885HAT1 969/4885MEN1 1649/4885

“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.