SCHEMBL1241471

SCHEMBL1241471

CCC(CC)Oc1ccc([N+](=O)[O-])cc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.40
SERPINE1 P05121 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
ADRA2A P08913 4/20 0.39
ADRA2B P18089 4/20 0.39
ADRA2C P18825 4/20 0.39
PSD A5PKW4 1/20 0.39
HSPB1 P04792 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1242400 0.87 CYP19A1 (0.43) CYP19A1PTGDR2SERPINE1MAPTMEN1
SCHEMBL13580914 0.83 TDP1 (0.48) PTGDR2SERPINE1MAPTMEN1TP53
SCHEMBL1239705 0.83 PTGDR2 (0.46) CYP19A1PTGDR2SERPINE1MAPTMEN1
SCHEMBL1241649 0.83 PTGDR2 (0.46) CYP19A1PTGDR2SERPINE1MAPTMEN1
SCHEMBL13580874 0.82 PSD (0.44) PTGDR2SERPINE1MAPTMEN1TP53
SCHEMBL1241788 0.81 XDH (0.38) CYP19A1SERPINE1MAPTMEN1KMT2A
SCHEMBL1241636 0.80 NOS3 (0.36) PTGDR2MAPTGAA
SCHEMBL1241608 0.79 EIF4E (0.41) MAPTMEN1TP53CASP3HTT
SCHEMBL15434085 0.79 MAPT (0.43) PTGDR2SERPINE1MAPTMEN1TP53
SCHEMBL12890131 0.78 PSD (0.47) MAPTMEN1TP53CASP3HTT

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 13 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
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
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
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

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 CYP19A1 748/4885PTGDR2 751/4885SERPINE1 1/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 CYP19A1 748/4885PTGDR2 751/4885SERPINE1 1/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 CYP19A1 701/4885PTGDR2 2507/4885SERPINE1 2/4885

“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.