SCHEMBL5224549

SCHEMBL5224549

O=C(Nc1ccccc1[N+](=O)[O-])NC1CCN(c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 4/20 0.49
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
EPHX2 P34913 1/20 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
SCHEMBL5222933 0.84 POLB (0.50) KMT2AALDH1A1MEN1NPC1MAPK1
SCHEMBL1419381 0.82 KMT2A (0.66) KMT2AALDH1A1GAAMEN1NPC1
SCHEMBL5221853 0.79 MAPK1 (0.46) KMT2AMEN1MAPK1HTT
SCHEMBL5224555 0.77 MEN1 (0.41) KMT2AALDH1A1GAAMEN1L3MBTL1
SCHEMBL5226055 0.77 KMT2A (0.47) KMT2AALDH1A1MEN1NPC1HTT
SCHEMBL5758735 0.76 F10 (0.46) KMT2AALDH1A1GAAMEN1NPC1
SCHEMBL25570230 0.75 KMT2A (0.55) KMT2AALDH1A1GAAMEN1HTT
SCHEMBL5226419 0.74 F10 (0.62) KMT2AALDH1A1GAAMEN1NPC1
SCHEMBL14514336 0.73 NPC1 (0.64) KMT2AALDH1A1GAAMEN1NPC1
Benzene SCHEMBL27559018 0.73 KDM1A (0.53) MAPK1SMN1; SMN2SIGMAR1CYP2C9CYP2C19

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 KMT2A 2083/4885ALDH1A1 835/4885GAA 77/4885

“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.