SCHEMBL1242359

SCHEMBL1242359

O=[N+]([O-])c1cccc(Oc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
HTT P42858 2/20 0.59
TP53 P04637 1/20 0.59
CASP3 P42574 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
ALDH1A1 P00352 2/20 0.54
LTA4H P09960 1/20 0.51
PTGS2 P35354 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
PGR P06401 1/20 0.47
HSPB1 P04792 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
F2 P00734 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
SCHEMBL3278521 0.92 MEN1 (0.53) MEN1MAPTKMT2AHTTTP53
SCHEMBL1130974 0.89 KMT2A (0.58) MEN1MAPTKMT2AHTTTP53
SCHEMBL29469269 0.89 KMT2A (0.58) MEN1MAPTKMT2AHTTTP53
SCHEMBL24155616 0.88 ALDH1A1 (0.61) MEN1MAPTKMT2AHTTTP53
SCHEMBL9158141 0.87 ALDH1A1 (0.67) MEN1MAPTKMT2AHTTALDH1A1
SCHEMBL9356592 0.87 ALDH1A1 (0.67) MEN1MAPTKMT2AHTTALDH1A1
Dinitrophenylene SCHEMBL27868275 0.86 MEN1 (0.59) MEN1MAPTKMT2AHTTTP53
SCHEMBL26215299 0.85 ALDH1A1 (0.54) MEN1MAPTKMT2ANPSR1ALDH1A1
SCHEMBL30334516 0.85 ALDH1A1 (0.54) MEN1MAPTKMT2ANPSR1ALDH1A1
SCHEMBL9214229 0.84 ALDH1A1 (0.73) MEN1MAPTKMT2AHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 US disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 US disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 US disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 EP disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
WO-2009125606-A1 PAI-1 INHIBITOR 株式会社医薬分子設計研究所 (JP) 2009-10-15 WO disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
EP-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed
EP-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US disclosed
US-4552984-A SULFONYLATION IN PRESENCE OF BORON TRIFLUORIDE, HYDROGEN FLUORIDE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-11-12 US disclosed
US-4446078-A REACTING A POLYHALOALKOXY- OR POLYHALOALKYLTHIOBENZENE WITH A CARBOXYLIC DERIVATIVE, BORON TRIFLUORIDE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-05-01 US disclosed
US-4438043-A Process for preparation of di- or trifluoromethoxyphenyl ketones or di- or trifluoromethylthiophenyl ketones RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US 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 (3 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-20080249175-A1 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 MEN1 1711/4885MAPT 4236/4885KMT2A 2850/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 MEN1 1711/4885MAPT 4236/4885KMT2A 2850/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 MEN1 210/4885MAPT 4277/4885KMT2A 2586/4885

“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.