SCHEMBL3229772

SCHEMBL3229772

O=C(O/N=C/c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 4/20 0.71
MAPT P10636 8/20 0.65
ALOX5 P09917 1/20 0.56
ALDH1A1 P00352 6/20 0.51
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP3A4 P08684 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MIF P14174 1/20 0.46
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3234579 0.84 PLA2G7 (0.83) PLA2G7MAPTALDH1A1SMN1; SMN2MIF
SCHEMBL3234581 0.84 PLA2G7 (0.83) PLA2G7MAPTALDH1A1SMN1; SMN2MIF
SCHEMBL3226262 0.84 PLA2G7 (1.00) PLA2G7MAPTALOX5ALDH1A1CYP1A2
SCHEMBL3226258 0.84 PLA2G7 (1.00) PLA2G7MAPTALOX5ALDH1A1CYP1A2
SCHEMBL13545887 0.82 PLA2G7 (0.79) PLA2G7MAPTALOX5ALDH1A1CYP1A2
SCHEMBL3226318 0.81 PLA2G7 (1.00) PLA2G7MAPTALDH1A1CYP1A2SMN1; SMN2
SCHEMBL3226311 0.81 PLA2G7 (1.00) PLA2G7MAPTALDH1A1CYP1A2SMN1; SMN2
SCHEMBL3229778 0.78 PLA2G7 (0.62) PLA2G7MAPTALOX5ALDH1A1CYP1A2
SCHEMBL13595494 0.72 MIF (0.63) PLA2G7MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL3225650 0.72 PLA2G7 (0.84) PLA2G7MAPTALDH1A1CYP1A2SMN1; SMN2

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-7642291-B2 O-acyloxime derivatives, preparation method thereof, and pharmaceutical composition containing the same for prevention and treatment of cardiovascular disease KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-01-05 US claimed
US-20060106017-A1 NOVEL O-ACYLOXIME DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2006-05-18 US claimed
US-8399662-B2 O-acyloxime derivatives, preparation method thereof, and pharmaceutical composition containing the same for prevention and treatment of cardiovascular disease KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-03-19 US disclosed
US-8399662-B2 O-acyloxime derivatives, preparation method thereof, and pharmaceutical composition containing the same for prevention and treatment of cardiovascular disease KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-03-19 US disclosed
US-8399662-B2 O-acyloxime derivatives, preparation method thereof, and pharmaceutical composition containing the same for prevention and treatment of cardiovascular disease KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-03-19 US disclosed
US-20100056780-A1 NOVEL O-ACYLOXIME DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-03-04 US disclosed
US-20100056780-A1 NOVEL O-ACYLOXIME DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-03-04 US disclosed
US-20100056780-A1 NOVEL O-ACYLOXIME DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-03-04 US disclosed
US-7642291-B2 O-acyloxime derivatives, preparation method thereof, and pharmaceutical composition containing the same for prevention and treatment of cardiovascular disease KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-01-05 US disclosed
US-20060106017-A1 NOVEL O-ACYLOXIME DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2006-05-18 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 (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-20100056780-A1 NOVEL O-ACYLOXIME DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE PLA2G7, ALOX5AP, LPL PLA2G7 1/4885MAPT 4854/4885ALOX5 7/4885
US-20060106017-A1 NOVEL O-ACYLOXIME DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE PLA2G7, ALOX5AP, LPL PLA2G7 1/4885MAPT 4854/4885ALOX5 7/4885

“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.