SCHEMBL4812552

SCHEMBL4812552

CCn1cc(Cc2ccc(C(=O)NCc3ccccn3)cc2Oc2ccc(C)cc2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
F2 P00734 1/20 0.40
F3 P13726 1/20 0.40
PIK3CA P42336 1/20 0.40
PPARG P37231 1/20 0.39
F10 P00742 1/20 0.38
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 2/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
MAPK14 Q16539 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4815144 0.89 PPARG (0.41) PDE10APIK3CAPPARGF10RAB9A
SCHEMBL4811010 0.81 KMT2A (0.44) PDE10AF2F3PIK3CAPPARG
SCHEMBL4808119 0.81 F2 (0.35) PDE10AF2F3PIK3CAF10
SCHEMBL5173183 0.79 PDE10A (0.49) PDE10APIK3CAPPARGF10RAB9A
SCHEMBL4807167 0.78 F10 (0.42) PDE10AF2F3PPARGF10
SCHEMBL4810755 0.78 P2RX3 (0.43) F2F3F10
SCHEMBL4807591 0.77 PIK3CA (0.39) F2F3PIK3CAF10ALDH1A1
SCHEMBL4812162 0.76 F2 (0.34) PDE10AF2F3F10KDM4E
SCHEMBL4812563 0.76 RAB9A (0.41) F2F3RAB9AKDM4EALDH1A1
SCHEMBL4812866 0.76 PIK3CA (0.44) PDE10AF2F3PIK3CAPPARG

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 PDE10A 3526/4885F2 3/4885F3 10/4885

“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.