SCHEMBL5226962

SCHEMBL5226962

CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)OC(c2ccncc2)C2CCNCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A4 P31645 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.33
NAMPT P43490 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
POLB P06746 1/20 0.33
PRMT1 Q99873 1/20 0.33

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
SCHEMBL7244090 0.93 CYP17A1 (0.36) CYP17A1L3MBTL1MEN1NPC1RAB9A
SCHEMBL5309796 0.82 CYP17A1 (0.35) CYP17A1L3MBTL1MAPTSLC6A4SLC6A2
SCHEMBL7244377 0.81 SLC6A4 (0.44) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL6173375 0.76 TDP1 (0.37) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL5226957 0.72 F10 (0.46) CYP17A1L3MBTL1MEN1NPC1RAB9A
SCHEMBL12207039 0.71 HTT (0.52) CYP17A1L3MBTL1MEN1NPC1RAB9A
SCHEMBL6168838 0.70 GPR119 (0.31)
SCHEMBL5224710 0.70 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3
SCHEMBL6169151 0.68 RXFP2 (0.39) MEN1KMT2AALDH1A1SLC6A4
SCHEMBL7078118 0.68 ALDH1A1 (0.48) MEN1NPC1RAB9AKMT2AALDH1A1

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 CYP17A1 556/4885L3MBTL1 3460/4885MEN1 1119/4885

“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.