SCHEMBL4128246

SCHEMBL4128246

O=[N+]([O-])OCc1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
IDO1 P14902 4/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
AKR1C3 P42330 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
EGFR P00533 1/20 0.39
FBP1 P09467 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
SCHEMBL5155604 0.85 CA12 (0.49) CA2CA12CA1CA4CA9
SCHEMBL8865248 0.83 IDO1 (0.39) CA2CA12CA1CA4CA9
SCHEMBL13242640 0.82 SENP1 (0.46) CA2CA12CA1CA4CA9
SCHEMBL13242629 0.82 CA12 (0.54) CA2CA12CA1CA4CA9
SCHEMBL23091915 0.81 IDO1 (0.66) CA2CA12CA1CA9IDO1
SCHEMBL5148849 0.81 CA12 (0.45) CA2CA12CA1CA4CA9
SCHEMBL5148856 0.81 AGXT (0.48) CA2CA12CA1CA4CA9
SCHEMBL186313 0.80 CA12 (0.56) CA2CA12CA1CA4CA9
SCHEMBL220304 0.80 CA2 (0.53) CA2CA12CA1CA4CA9
SCHEMBL28040548 0.80 SNCA (0.50) CA2CA12CA1CA4CA9

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629368-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2009-12-08 US disclosed
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2009-03-19 US disclosed
US-7465803-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2008-12-16 US disclosed
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2008-08-14 US disclosed
US-7378437-B2 Use for the diabetes treatment of compounds or salts thereof, having the following general formula (I): A-(B)b0-(C)c0-NO2 wherein A contains the radical of a drug having an antiiflammatory or analgesic activity, B is a bivalen: linking NICOX S.A. (FR) 2008-05-27 US disclosed
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 EP disclosed
EP-1147074-B1 SYNTHESIS METHOD OF NITROXYMETHYLPHENYL ESTERS OF ASPIRIN DERIVATIVES NICOX SA (FR) 2005-03-23 EP disclosed
EP-1194397-B1 A PROCESS FOR OBTAINING (NITROXYMETHYL)PHENYL ESTERS OF SALICYLIC ACID DERIVATIVES NICOX SA (FR) 2004-09-22 EP disclosed
US-6696591-B1 USING LOWER COST, CHEMICALLY STABLE, NONIRRITAING REACTANTS AND INTERMEDIATES; HALOACYLATION, ESTERIFICATION WITH HYDROXYBENZYLACOHOL AND NITRATION NICOX S.A. (FR) 2004-02-24 US disclosed
US-20040023890-A1 Drugs for diabetes NICOX S.A. (FR) 2004-02-05 US disclosed
CN-1360566-A Process for the preparation of (nitroxymethyl) phenyl esters of salicylic acid derivatives NICOX SA (FR) 2002-07-24 CN disclosed
EP-1194397-A1 A PROCESS FOR OBTAINING (NITROXYMETHYL)PHENYL ESTERS OF SALICYLIC ACID DERIVATIVES NICOX S.A. (FR) 2002-04-10 EP disclosed
EP-1147074-A1 SYNTHESIS METHOD OF NITROXYMETHYLPHENYL ESTERS OF ASPIRIN DERIVATIVES NICOX S.A. (FR) 2001-10-24 EP disclosed
CN-1305997-A Diclofenac coupled derivative and its synthesizing process and inflammation relieving action CHINESE PHARMACY UNIV (CN) 2001-08-01 CN disclosed
US-6242432-B1 ANTIHYPERTENSIVE ACTIVITY, ANTIHYPERSENSITIVE ACTIVITY; TREATMENT OF CARDIOVASCULAR DISEASE NICOX S.A. (FR) 2001-06-05 US disclosed
WO-2001004082-A1 A PROCESS FOR OBTAINING (NITROXYMETHYL)PHENYL ESTERS OF SALICYLIC ACID DERIVATIVES NICOX S.A. (FR) 2001-01-18 WO disclosed
WO-2000044705-A1 SYNTHESIS METHOD OF NITROXYMETHYLPHENYL ESTERS OF ASPIRIN DERIVATIVES NICOX S.A. (FR) 2000-08-03 WO disclosed
CN-1242768-A Antithrombotic organic nitrates NICOX SA (FR) 2000-01-26 CN disclosed
EP-0941218-A1 ANTITHROMBOTIC ORGANIC NITRATES NICOX S.A. (FR) 1999-09-15 EP disclosed
WO-1998021193-A1 ANTITHROMBOTIC ORGANIC NITRATES NICOX S.A. (FR) 1998-05-22 WO 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-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR0B1, NOX1 CA2 1735/4885CA12 2544/4885CA1 1912/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 CA2 1920/4885CA12 3168/4885CA1 2096/4885
US-20040023890-A1 Drugs for diabetes SLC5A2, ADORA2B, UGT2B7 CA2 79/4885CA12 236/4885CA1 610/4885

“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.