SCHEMBL5222087

SCHEMBL5222087

Nc1cccc(C(=O)c2cccc([N+](=O)[O-])c2)c1NC(=O)OCC1CCN(c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.45
LMNA P02545 5/20 0.40
HPGD P15428 2/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
POLB P06746 2/20 0.38
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 5/20 0.36
GAA P10253 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
APOBEC3G Q9HC16 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 0.89 F10 (0.40) F10HDAC3HDAC1HDAC2
SCHEMBL5223035 0.89 F10 (0.43) F10CHRNB2CHRNA4HDAC3HDAC1
Hydrochloric Acid SCHEMBL7246494 0.86 CHRM3 (0.40) F10HDAC3HDAC1HDAC2
SCHEMBL7251470 0.86 F10 (0.44) F10LMNAHPGDNPC1RAB9A
Hydrochloric Acid SCHEMBL7875182 0.84 F10 (0.42) F10
SCHEMBL5224739 0.84 F10 (0.42) F10HDAC3HDAC1HDAC2
SCHEMBL7242555 0.84 F10 (0.39) F10HDAC3HDAC1HDAC2
SCHEMBL5221648 0.84 F10 (0.42) F10
Hydrochloric Acid SCHEMBL7246104 0.83 HDAC1 (0.43) F10HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL7251957 0.83 F10 (0.41) F10

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 12/4885LMNA 325/4885HPGD 927/4885

“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.