SCHEMBL3229778

SCHEMBL3229778

O=C(ON=Cc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.62
MAPT P10636 11/20 0.51
ALDH1A1 P00352 9/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 2/20 0.50
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.43
ALOX5 P09917 1/20 0.43
HTT P42858 2/20 0.42
MIF P14174 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL3229772 0.78 PLA2G7 (0.71) PLA2G7MAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL3226311 0.77 PLA2G7 (1.00) PLA2G7MAPTALDH1A1CYP1A2NPC1
SCHEMBL3226318 0.77 PLA2G7 (1.00) PLA2G7MAPTALDH1A1CYP1A2NPC1
SCHEMBL3226258 0.74 PLA2G7 (1.00) PLA2G7MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL3226262 0.74 PLA2G7 (1.00) PLA2G7MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL28056360 0.72 ALDH1A1 (0.60) MAPTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL3234581 0.71 PLA2G7 (0.83) PLA2G7MAPTALDH1A1NPC1RAB9A
SCHEMBL3234579 0.71 PLA2G7 (0.83) PLA2G7MAPTALDH1A1NPC1RAB9A
SCHEMBL827585 0.70 ALDH1A1 (0.59) MAPTALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL13545887 0.69 PLA2G7 (0.79) PLA2G7MAPTALDH1A1L3MBTL1CYP1A2

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 6 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-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 4854/4885ALDH1A1 854/4885
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 4854/4885ALDH1A1 854/4885

“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.