SCHEMBL4811027

SCHEMBL4811027

CCn1cc(Cc2ccc(C(=O)NCc3c[nH]cn3)cc2-c2ccc(OC)cc2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.41
F10 P00742 4/20 0.41
F7 P08709 4/20 0.41
F3 P13726 3/20 0.41
PLG P00747 1/20 0.41
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ROCK2 O75116 3/20 0.34
F9 P00740 1/20 0.34
PLAU P00749 1/20 0.34
F11 P03951 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 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
SCHEMBL4813411 0.89 F2 (0.44) F2F10F7F3PLG
SCHEMBL4806234 0.89 F2 (0.42) F2F10F7F3PLG
SCHEMBL4811010 0.89 KMT2A (0.44) F2F10F7F3PLG
SCHEMBL6393447 0.88 F2 (0.41) F2F10F7F3PLG
SCHEMBL4813419 0.88 F2 (0.43) F2F10F7F3PLG
SCHEMBL6398608 0.88 F2 (0.47) F2F10F7F3PLG
SCHEMBL4816001 0.87 F10 (0.45) F2F10F7F3PLG
SCHEMBL4811281 0.87 F7 (0.41) F2F10F7F3PLG
SCHEMBL4808849 0.87 F2 (0.41) F2F10F7F3PLG
SCHEMBL4804444 0.86 ROCK2 (0.44) F2F10F7F3PLG

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 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

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 F2 3/4885F10 12/4885F7 7/4885

“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.