SCHEMBL2527342

SCHEMBL2527342

CCc1ccc([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.49
RORC P51449 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 3/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.45
PKM P14618 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PAX8 Q06710 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDGFRB P09619 1/20 0.45

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
SCHEMBL6592607 0.94 MAPT (0.54) ALDH1A1LMNARORCSMN1; SMN2HTT
SCHEMBL12220158 0.90 ALDH1A1 (0.54) ALDH1A1LMNARORCSMN1; SMN2HTT
SCHEMBL6697965 0.89 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL1318195 0.88 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL13280233 0.88 ALDH1A1 (0.52) ALDH1A1LMNARORCSMN1; SMN2HTT
SCHEMBL1319188 0.88 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL27884759 0.87 ALDH1A1 (0.54) ALDH1A1LMNARORCSMN1; SMN2HTT
SCHEMBL6339186 0.87 PDGFRB (0.58) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL7665374 0.86 SMN1; SMN2 (0.61) ALDH1A1LMNASMN1; SMN2TP53MAPT
SCHEMBL28871881 0.86 ALDH1A1 (0.54) ALDH1A1LMNARORCSMN1; SMN2HTT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-11-03 US disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
CN-101631784-A Bicyclic lactam factor VIIA inhibitors useful as anticoagulants BRISTOL MYERS SQUIBB CO 2010-01-20 CN disclosed
EP-2099783-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-09-16 EP disclosed
WO-2008079759-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO disclosed
EP-1831198-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067446-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 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 (2 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-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES SARS1, ACE2, ACE ALDH1A1 746/4885LMNA 937/4885RORC 174/4885
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 ALDH1A1 4405/4885LMNA 727/4885RORC 2939/4885

“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.