SCHEMBL2402136

SCHEMBL2402136

O=C(O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.55
ALDH1A1 P00352 5/20 0.53
GPR35 Q9HC97 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HSPB1 P04792 3/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 1/20 0.50
CES2 O00748 1/20 0.49
HIF1A Q16665 1/20 0.49
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL2402141 1.00 TTR (0.55) TTRALDH1A1GPR35TP53HPGD
SCHEMBL427368 0.88 ALDH1A1 (0.55) TTRALDH1A1GPR35TP53HPGD
SCHEMBL29821424 0.88 ALDH1A1 (0.55) TTRALDH1A1GPR35TP53HPGD
SCHEMBL1220299 0.88 ALDH1A1 (0.55) TTRALDH1A1GPR35TP53HPGD
SCHEMBL29379815 0.88 ALDH1A1 (0.55) TTRALDH1A1GPR35TP53HPGD
SCHEMBL1322478 0.87 TTR (0.52) TTRALDH1A1GPR35TP53HPGD
SCHEMBL1322476 0.87 TTR (0.52) TTRALDH1A1GPR35TP53HPGD
SCHEMBL3639263 0.86 HTT (0.47) TTRALDH1A1GPR35TP53HPGD
SCHEMBL823705 0.85 RECQL (0.56) TTRALDH1A1GPR35TP53HPGD
SCHEMBL1268183 0.85 ALDH1A1 (0.51) TTRALDH1A1GPR35TP53HPGD

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995008561-A1 SYNTHESES OF AZAPEPTIDES BY THE FMOC/TERT-BUTYL/POLYAMIDE TECHNIQUE MEDICAL RESEARCH COUNCIL (GB) 1995-03-30 WO claimed
EP-1891142-B1 OLIGO- AND POLY-CARBONATES TERMINATED WITH SILICON CONTAINING GROUPS AS SURFACE MODIFIERS CIBA HOLDING INC (CH) 2014-12-03 EP disclosed
US-20110224443-A1 PREPARATION OF FOSAMPRENAVIR CALCIUM DR. REDDY'S LABORATORIES LIMITED (IN) 2011-09-15 US disclosed
US-8013047-B2 Oligo- and poly-carbonates terminated with silicon containing groups as surface modifiers BASF SE Ludwigshafen (DE) 2011-09-06 US disclosed
EP-1984440-B1 AROMATIC SULPHONATE FLAME RETARDANT COMPOSITIONS BASF SE (DE) 2010-11-03 EP disclosed
EP-1915427-B1 POLYCARBONATE FLAME RETARDENT COMPOSITIONS BASF SE (DE) 2010-07-14 EP disclosed
US-20100168295-A1 Polycarbonate Flame Retardant Compositions CIBA CORPORATION 2010-07-01 US disclosed
US-20100069537-A1 Aromatic Sulphonate Flame Retardant Compositions CIBA CORPORATION 2010-03-18 US disclosed
US-20100010135-A1 Oligo-and poly-carbonates terminated with silicon containing groups as surface modifiers CIBA SPECIALTY CHEMICALS CORPORATION 2010-01-14 US disclosed
US-20090062436-A1 Aromatic Phosphate Acid Flame Retardant Compositions CIBA CORP. 2009-03-05 US disclosed
WO-2007093513-A1 AROMATIC SULPHONATE FLAME RETARDANT COMPOSITIONS CIBA HOLDING INC. (CH) 2007-08-23 WO disclosed
US-7199215-B1 comprising a novel carbaza unit significantly modifying the peptide backbone; for diagnosis of pathology conditions associated with the presence of endogenous or exogenous proteins; immunotherapy, vaccination BIOMERIEUX (FR) 2007-04-03 US disclosed
WO-2007020211-A1 POLYCARBONATE FLAME RETARDENT COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-02-22 WO disclosed
WO-2006134045-A1 OLIGO- AND POLY-CARBONATES TERMINATED WITH SILICON CONTAINING GROUPS AS SURFACE MODIFIERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-12-21 WO disclosed
WO-1995008561-A1 SYNTHESES OF AZAPEPTIDES BY THE FMOC/TERT-BUTYL/POLYAMIDE TECHNIQUE MEDICAL RESEARCH COUNCIL (GB) 1995-03-30 WO disclosed
EP-0303842-A3 CYCLIC POLYCARBONATE OLIGOMERS: INHIBITION OF POLYMERIZATION TO LINEAR POLYCARBONATES GENERAL ELECTRIC COMPANY (US) 1990-08-01 EP disclosed
US-4839462-A SUBSTITUTED PHENOL AND PHENYL CARBONATE GENERAL ELECTRIC COMPANY (US) 1989-06-13 US disclosed
US-4839462-A SUBSTITUTED PHENOL AND PHENYL CARBONATE GENERAL ELECTRIC COMPANY (US) 1989-06-13 US disclosed
EP-0303842-A2 Cyclic polycarbonate oligomers: inhibition of polymerization to linear polycarbonates GENERAL ELECTRIC COMPANY (US) 1989-02-22 EP disclosed
EP-0303842-A2 Cyclic polycarbonate oligomers: inhibition of polymerization to linear polycarbonates GENERAL ELECTRIC COMPANY (US) 1989-02-22 EP 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-20090062436-A1 Aromatic Phosphate Acid Flame Retardant Compositions FGFR4, FFAR4, UPP1 TTR 285/4885ALDH1A1 1199/4885GPR35 1173/4885
US-20110224443-A1 PREPARATION OF FOSAMPRENAVIR CALCIUM ORAI1, CACNA1I, FOS TTR 1724/4885ALDH1A1 3907/4885GPR35 4025/4885

“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.