SCHEMBL1241649

SCHEMBL1241649

CCCCOc1ccc([N+](=O)[O-])cc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
MAPT P10636 6/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CYP19A1 P11511 4/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
SERPINE1 P05121 1/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL1239705 0.95 PTGDR2 (0.46) PTGDR2MAPTNPC1RAB9ACYP19A1
SCHEMBL12952717 0.89 CYP19A1 (0.48) MAPTNPC1RAB9ACYP19A1KMT2A
SCHEMBL13581226 0.88 CYP19A1 (0.50) MAPTNPC1RAB9ACYP19A1CYSLTR2
SCHEMBL13580914 0.84 TDP1 (0.48) PTGDR2MAPTKMT2AALDH1A1NPSR1
SCHEMBL13580874 0.83 PSD (0.44) PTGDR2MAPTKMT2AALDH1A1NPSR1
SCHEMBL1241471 0.83 CYP19A1 (0.46) PTGDR2MAPTCYP19A1KMT2AALDH1A1
SCHEMBL13092387 0.83 PTGDR2 (0.66) PTGDR2MAPTNPC1RAB9ACYP19A1
SCHEMBL1241610 0.82 CYP19A1 (0.55) PTGDR2MAPTCYP19A1KMT2ALMNA
SCHEMBL1241631 0.81 SMN1; SMN2 (0.55) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL1242400 0.81 CYP19A1 (0.43) PTGDR2MAPTNPC1RAB9ACYP19A1

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 9 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-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-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 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
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 PTGDR2 751/4885MAPT 4236/4885NPC1 1483/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 PTGDR2 751/4885MAPT 4236/4885NPC1 1483/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 PTGDR2 2507/4885MAPT 4277/4885NPC1 3121/4885

“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.