SCHEMBL5222501

SCHEMBL5222501

Nc1cccc(NC(=O)OCC2CCN(c3ccncc3)CC2)c1N

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.46
HDAC1 Q13547 10/20 0.46
HDAC2 Q92769 9/20 0.45
CHRM3 P20309 7/20 0.44
F10 P00742 3/20 0.42

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
SCHEMBL7406978 0.92 HDAC3 (0.55) HDAC3HDAC1HDAC2CHRM3
SCHEMBL5224718 0.82 HDAC3 (0.42) HDAC3HDAC1F10
SCHEMBL5258542 0.82 CHRM3 (0.50) HDAC3HDAC1HDAC2CHRM3F10
SCHEMBL5221853 0.82 MAPK1 (0.46) CHRM3F10
Hydrochloric Acid SCHEMBL5225043 0.81 HDAC3 (0.41) HDAC3HDAC1F10
SCHEMBL5228823 0.79 F10 (0.53) HDAC3HDAC1HDAC2CHRM3F10
SCHEMBL5260230 0.78 F10 (0.52) HDAC3HDAC1HDAC2CHRM3F10
SCHEMBL5227734 0.78 F10 (0.40) HDAC3HDAC1HDAC2CHRM3F10
SCHEMBL5223035 0.78 F10 (0.43) HDAC3HDAC1HDAC2CHRM3F10
SCHEMBL5224739 0.78 F10 (0.42) HDAC3HDAC1HDAC2F10

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 HDAC3 156/4885HDAC1 61/4885HDAC2 166/4885

“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.