SCHEMBL4813372

SCHEMBL4813372

CCC(c1ccc(C(=O)NCc2cccnc2)cc1-c1ccc(Cl)cc1C(=O)O)c1n[nH]c2cc(C(=N)N)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ROCK2 O75116 1/20 0.39
PTGER1 P34995 2/20 0.39
POLB P06746 1/20 0.39
PPARG P37231 1/20 0.39
MAPK3 P27361 1/20 0.39

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
SCHEMBL4811761 0.93 PKM (0.42) F2F10F7F3ALDH1A1
SCHEMBL4810545 0.91 GAA (0.44) F2F10F7F3ALDH1A1
SCHEMBL4815019 0.82 F7 (0.36) F2F10F7F3
SCHEMBL4812870 0.82 F2 (0.43) EIF4EF2F10F7F3
SCHEMBL5254156 0.81 MEN1 (0.36) F2F10F7F3ALDH1A1
SCHEMBL4812966 0.80 F2 (0.44) F2F10F7F3ROCK2
SCHEMBL4811048 0.80 GAA (0.45) F2F10F7F3ALDH1A1
SCHEMBL4809295 0.79 P2RX3 (0.37) F2F10F7F3
SCHEMBL4806037 0.77 F10 (0.42) F2F10F7F3ROCK2
SCHEMBL4813356 0.74 ROCK2 (0.45) EIF4EF2F10F7F3

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 EIF4E 3186/4885F2 3/4885F10 12/4885

“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.