SCHEMBL4811010

SCHEMBL4811010

CCn1cc(Cc2ccc(C(=O)NCc3ccccn3)cc2-c2ccc(OC)cc2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PDE10A Q9Y233 1/20 0.44
F10 P00742 2/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
PIK3CA P42336 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 1/20 0.39
PPARG P37231 1/20 0.39
MAPK14 Q16539 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4811744 0.93 KMT2A (0.44) KMT2AMEN1PDE10APIK3CAHPGD
SCHEMBL4813419 0.93 F2 (0.43) F10F2PLGF7F3
SCHEMBL4815144 0.91 PPARG (0.41) KMT2AMEN1PDE10AF10PIK3CA
SCHEMBL4805071 0.91 KMT2A (0.44) KMT2AMEN1PDE10APIK3CAHPGD
SCHEMBL4816001 0.90 F10 (0.45) KMT2AMEN1PDE10AF10F2
SCHEMBL4813411 0.90 F2 (0.44) PDE10AF10F2PLGF7
SCHEMBL4811281 0.89 F7 (0.41) KMT2AMEN1PDE10AF10F2
SCHEMBL4811027 0.89 F2 (0.41) F10F2PLGF7F3
SCHEMBL4809051 0.89 MEN1 (0.44) KMT2AMEN1PDE10APIK3CAHPGD
SCHEMBL6393447 0.89 F2 (0.41) F10F2PLGF7F3

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 KMT2A 576/4885MEN1 1649/4885PDE10A 3526/4885

“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.