SCHEMBL5222845

SCHEMBL5222845

COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
NPC1 O15118 4/20 0.63
HSP90AA1 P07900 1/20 0.63
PKM P14618 1/20 0.63
PAX8 Q06710 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
NR1H4 Q96RI1 3/20 0.59
ALOX5 P09917 1/20 0.58
ALDH1A1 P00352 4/20 0.58
RAB9A P51151 3/20 0.58
HTT P42858 3/20 0.58
HPGD P15428 1/20 0.58
LMNA P02545 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
F10 P00742 2/20 0.56

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
SCHEMBL5225027 0.92 HTT (0.61) MAPTMEN1KMT2ANPC1HSP90AA1
SCHEMBL5222102 0.84 NR1H4 (0.64) MAPTNPC1NR1H4RAB9ALMNA
SCHEMBL5225486 0.83 NR1H4 (0.63) MAPTMEN1KMT2ANPC1NR1H4
SCHEMBL5225002 0.81 HTT (0.70) MAPTMEN1KMT2ANPC1NR1H4
SCHEMBL2633343 0.81 ALOX5 (0.77) MAPTMEN1KMT2ANPC1HSP90AA1
SCHEMBL2061754 0.81 ALOX5 (0.77) MAPTMEN1KMT2ANPC1HSP90AA1
SCHEMBL7246263 0.81 RAB9A (0.61) MAPTMEN1KMT2ANPC1PKM
SCHEMBL5225715 0.80 F10 (0.76) MAPTMEN1KMT2ANPC1NR1H4
SCHEMBL7294831 0.80 HTT (0.68) MAPTMEN1KMT2ANPC1PKM
SCHEMBL5223218 0.80 NR1H4 (0.73) MAPTMEN1KMT2ANPC1PKM

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 MAPT 4291/4885MEN1 1119/4885KMT2A 2083/4885

“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.