SCHEMBL6749963

SCHEMBL6749963

COC(=O)c1cc(CBr)cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
PLAU P00749 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
GSK3B P49841 1/20 0.44
KAT6A Q92794 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
ERN1 O75460 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL6751413 0.89 PLAU (0.47) CYP4F2CYP4A11PLAUMRGPRX4KAT6A
SCHEMBL6753784 0.88 LOXL2 (0.53) CYP4F2CYP4A11PLAUMRGPRX4KAT6A
SCHEMBL7663246 0.84 MRGPRX4 (0.48) PLAUMRGPRX4KAT6ALOXL2XDH
SCHEMBL7662548 0.84 MRGPRX4 (0.51) PLAUMRGPRX4KAT6A
SCHEMBL7714047 0.84 MRGPRX4 (0.51) PLAUMRGPRX4KAT6AEGLN1
SCHEMBL7656098 0.83 MRGPRX4 (0.45) CYP4F2CYP4A11PLAUMRGPRX4KAT6A
SCHEMBL7822720 0.83 PLAU (0.61) PLAUMRGPRX4GSK3BKAT6ALOXL2
SCHEMBL7717556 0.82 PLAU (0.50) PLAUMRGPRX4KAT6AEGLN1XDH
SCHEMBL7656101 0.82 PLAU (0.42) CYP4F2CYP4A11PLAUMRGPRX4KAT6A
SCHEMBL7240867 0.82 CYP4F2 (0.50) CYP4F2CYP4A11LOXL2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043310-B1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LTD (JP) 2004-06-09 EP disclosed
US-6706745-B1 THERAPY FOR ANTICOAGULATION PLAYS AN IMPORTANT PART IN THE MEDICAL TREATMENT AND PROPHYLAXIS OF THROMBOEMBOLISMS TEIJIN LIMITED (JP) 2004-03-16 US disclosed
US-20030203935-A1 Cyanobiphenyl derivatives TEIJIN LIMITED 2003-10-30 US disclosed
US-6538137-B1 Blood-coagulation factor X inhibitors TEIJIN LIMITED (JP) 2003-03-25 US disclosed
EP-1179527-A1 CYANOBIPHENYL DERIVATIVES TEIJIN LIMITED (JP) 2002-02-13 EP disclosed
EP-1043310-A1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2000-10-11 EP 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-20030203935-A1 Cyanobiphenyl derivatives F9, F12, F11 CYP4F2 245/4885CYP4A11 1447/4885PLAU 111/4885

“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.