SCHEMBL4811048

SCHEMBL4811048

CCC(c1ccc(C(=O)NCc2cccnc2)cc1-c1ccc(OC)cc1C(=O)O)c1c[nH]c2cc(C(=N)N)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
F2 P00734 2/20 0.44
F10 P00742 2/20 0.44
F7 P08709 2/20 0.44
F3 P13726 2/20 0.44
PLG P00747 1/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
BLM P54132 1/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CYP2C19 P33261 1/20 0.43
ROCK2 O75116 4/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL4816010 0.93 F3 (0.48) MEN1KMT2AF2F10F7
SCHEMBL4804465 0.92 F2 (0.47) F2F10F7F3PLG
SCHEMBL4812870 0.91 F2 (0.43) GAAKMT2AF2F10F7
SCHEMBL4813441 0.89 F10 (0.47) F2F10F7F3PLG
SCHEMBL4810545 0.89 GAA (0.44) GAAMEN1KMT2AF2F10
SCHEMBL4809428 0.89 F2 (0.47) MEN1KMT2AF2F10F7
SCHEMBL6398611 0.88 F7 (0.51) F2F10F7F3PLG
SCHEMBL4811025 0.87 F2 (0.45) GAAMEN1KMT2AF2F10
SCHEMBL4810037 0.87 F3 (0.45) F2F10F7F3PLG
SCHEMBL4808843 0.87 F2 (0.46) GAAF2F10F7F3

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 4 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 claimed
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 claimed
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 GAA 3560/4885MEN1 1649/4885KMT2A 576/4885

“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.