SCHEMBL1242402

SCHEMBL1242402

CCCOc1ccc([N+](=O)[O-])c(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
PTGES O14684 2/20 0.43
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 2/20 0.41
SCN5A Q14524 1/20 0.41
TXNRD1 Q16881 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 3/20 0.39
MAPK1 P28482 3/20 0.39
KMT2A Q03164 3/20 0.39
EIF4E P06730 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
RAF1 P04049 1/20 0.39

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
SCHEMBL1241608 0.82 EIF4E (0.41) MAPTPTGESFFAR1FFAR4ALDH1A1
SCHEMBL15434064 0.81 TSHR (0.46) MAPTPTGESFFAR4ALDH1A1LMNA
SCHEMBL1242500 0.81 MAPT (0.53) MAPTALDH1A1LMNATXNRD1RAB9A
SCHEMBL1242343 0.81 CNR2 (0.44) MAPTPTGESALDH1A1LMNATXNRD1
SCHEMBL1242385 0.80 EIF4E (0.42) MAPTPTGESFFAR1FFAR4ALDH1A1
SCHEMBL1239749 0.79 ATM (0.46) MAPTPTGESFFAR1FFAR4TXNRD1
SCHEMBL1239705 0.79 PTGDR2 (0.46) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL1242880 0.78 FFAR4 (0.43) MAPTFFAR1FFAR4ALDH1A1CYP2C9
SCHEMBL13809398 0.78 EIF4E (0.44) MAPTPTGESALDH1A1LMNATXNRD1
SCHEMBL13481164 0.77 MAPT (0.63) MAPTALDH1A1LMNACYP2C9CYP1A2

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 10 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-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 MAPT 4236/4885PTGES 465/4885FFAR1 1725/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 MAPT 4236/4885PTGES 465/4885FFAR1 1725/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 MAPT 4277/4885PTGES 1132/4885FFAR1 3711/4885

“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.