SCHEMBL5223035

SCHEMBL5223035

Nc1cccc(C(=O)c2cccc(N)c2NC(=O)OCC2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.43
CHRM3 P20309 2/20 0.40
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 3/20 0.38
PLOD2 O00469 1/20 0.37
PLOD3 O60568 1/20 0.37
PLOD1 Q02809 1/20 0.37
AOC3 Q16853 2/20 0.36
BDKRB1 P46663 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 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
SCHEMBL5227734 0.93 F10 (0.40) F10CHRM3HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL7246494 0.91 CHRM3 (0.40) F10CHRM3HDAC3HDAC1HDAC2
SCHEMBL7251470 0.90 F10 (0.44) F10
SCHEMBL5222087 0.89 F10 (0.45) F10HDAC3HDAC1HDAC2CHRNB2
Hydrochloric Acid SCHEMBL7875182 0.88 F10 (0.42) F10CHRM3BDKRB1
SCHEMBL5224739 0.88 F10 (0.42) F10HDAC3HDAC1HDAC2BDKRB1
SCHEMBL7242555 0.88 F10 (0.39) F10HDAC3HDAC1HDAC2BDKRB1
SCHEMBL5221648 0.88 F10 (0.42) F10BDKRB1
Hydrochloric Acid SCHEMBL7246104 0.87 HDAC1 (0.43) F10HDAC3HDAC1HDAC2BDKRB1
Hydrochloric Acid SCHEMBL7251957 0.87 F10 (0.41) F10BDKRB1

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 F10 12/4885CHRM3 4698/4885HDAC3 156/4885

“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.