SCHEMBL7249077

SCHEMBL7249077

COc1ccc(C(=O)c2cccc(N)c2NC(=O)NC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.45
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 3/20 0.44
CYP1A2 P05177 1/20 0.44
CCNC P24863 3/20 0.43
CDK8 P49336 3/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 3/20 0.41
PAK1 Q13153 1/20 0.41
EPHX2 P34913 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 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
SCHEMBL5224617 0.88 TRPV1 (0.41) F10PAK1EPHX2MAPK1
SCHEMBL5226198 0.88 F10 (0.55) F10CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL5225141 0.87 F10 (0.57) F10CYP3A4CYP2D6CYP1A2ALDH1A1
SCHEMBL5224868 0.84 F10 (0.49) F10CYP3A4CYP2D6CYP1A2ALDH1A1
SCHEMBL5758061 0.83 F10 (0.58) F10CYP3A4CYP2D6CYP1A2ALDH1A1
SCHEMBL5226419 0.78 F10 (0.62) F10ALDH1A1GAAMAPTCCNE1
SCHEMBL7251470 0.76 F10 (0.44) F10ALDH1A1MAPTSMN1; SMN2
SCHEMBL5221544 0.75 F10 (0.48) F10
SCHEMBL5224692 0.75 CYP3A4 (0.48) F10CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL7248285 0.74 KMT2A (0.51) CYP3A4CYP2D6CYP1A2CYP2C9MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 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-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 F10 12/4885CYP3A4 580/4885CYP2D6 1413/4885

“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.