SCHEMBL5223546

SCHEMBL5223546

COc1ccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.59
MAPT P10636 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
HSP90AA1 P07900 1/20 0.59
PKM P14618 1/20 0.59
PAX8 Q06710 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALOX5 P09917 1/20 0.57
RAB9A P51151 4/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.53
HDAC8 Q9BY41 1/20 0.52
MAPK1 P28482 1/20 0.51

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
SCHEMBL6591068 0.84 MEN1 (0.55) NPC1MAPTMEN1KMT2ARAB9A
SCHEMBL6593113 0.84 MAPT (0.58) MAPTKMT2AALDH1A1HDAC8
SCHEMBL3595597 0.83 HTT (0.70) NPC1MAPTMEN1KMT2AHSP90AA1
SCHEMBL5222453 0.81 RAF1 (0.60) NPC1MAPTMEN1KMT2AHSP90AA1
SCHEMBL491720 0.81 POLB (0.51) MAPTMEN1KMT2APKMRAB9A
SCHEMBL28123209 0.81 MAPT (0.52) NPC1MAPTMEN1KMT2AHSP90AA1
SCHEMBL14363181 0.80 NPC1 (0.66) NPC1MAPTMEN1KMT2AHSP90AA1
SCHEMBL8714517 0.80 MEN1 (0.70) NPC1MAPTMEN1KMT2AALOX5
SCHEMBL2309322 0.80 KMT2A (0.73) NPC1MAPTMEN1KMT2AHSP90AA1
SCHEMBL10489750 0.79 NPC1 (0.60) NPC1MAPTMEN1KMT2ARAB9A

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 NPC1 1618/4885MAPT 4291/4885MEN1 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.