SCHEMBL5224604

SCHEMBL5224604

O=C(Cc1ccccc1C(=O)Nc1ccc(Cl)cc1)NCC1CCN(c2ccncc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.48
F10 P00742 10/20 0.47
KDR P35968 3/20 0.47
TRPV1 Q8NER1 1/20 0.47
ALDH1A1 P00352 1/20 0.46
FLT1 P17948 1/20 0.45

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
SCHEMBL7244704 0.84 F10 (0.52) F10
SCHEMBL6374899 0.80 NPC1 (0.56) F10TRPV1ALDH1A1
SCHEMBL5756198 0.80 KDR (0.61) BDKRB1F10KDRTRPV1ALDH1A1
SCHEMBL5224676 0.78 HDAC3 (0.48) F10
SCHEMBL6376082 0.78 TRPV1 (0.51) F10TRPV1ALDH1A1
SCHEMBL5224611 0.78 TRPV1 (0.48) BDKRB1F10TRPV1ALDH1A1
SCHEMBL5755854 0.77 KDM4C (0.50) BDKRB1F10TRPV1ALDH1A1
SCHEMBL7091228 0.76 F10 (0.54) F10ALDH1A1
SCHEMBL6374238 0.74 MEN1 (0.49) F10TRPV1ALDH1A1
SCHEMBL6374115 0.74 MEN1 (0.49) F10TRPV1ALDH1A1

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-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
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
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO 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 BDKRB1 114/4885F10 12/4885KDR 3545/4885

“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.