SCHEMBL4126589

SCHEMBL4126589

COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1ccccc1OC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.66
CA1 P00915 4/20 0.66
CA2 P00918 4/20 0.66
CA4 P22748 4/20 0.66
CA9 Q16790 4/20 0.66
PTGS2 P35354 1/20 0.62
ALOX5 P09917 5/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
VCP P55072 2/20 0.49
TTR P02766 1/20 0.48
JUN P05412 1/20 0.47
NFKB1 P19838 1/20 0.47
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
SYK P43405 1/20 0.46

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
SCHEMBL4126593 1.00 CA12 (0.66) CA12CA1CA2CA4CA9
SCHEMBL4129207 0.90 CA12 (0.71) CA12CA1CA2CA4CA9
SCHEMBL4129197 0.90 CA12 (0.71) CA12CA1CA2CA4CA9
SCHEMBL13997727 0.88 ALOX5 (0.56) CA12CA1CA2CA4CA9
SCHEMBL4133818 0.88 ALOX5 (0.56) CA12CA1CA2CA4CA9
SCHEMBL4133820 0.88 ALOX5 (0.56) CA12CA1CA2CA4CA9
SCHEMBL13589472 0.86 ALOX5 (0.54) CA12CA1CA2CA4CA9
SCHEMBL5290066 0.85 PTGS2 (0.61) CA12CA1CA2CA4CA9
SCHEMBL14190080 0.82 CA12 (0.70) CA12CA1CA2CA4CA9
SCHEMBL12538769 0.81 CA12 (0.66) CA12CA1CA2CA4CA9

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2009-03-19 US claimed
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 EP claimed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 US claimed
US-7629368-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2009-12-08 US disclosed
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-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-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-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
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
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 US disclosed
US-20040023890-A1 Drugs for diabetes NICOX S.A. (FR) 2004-02-05 US disclosed
EP-1324974-A2 DRUGS FOR DIABETES Nicox S.A. (FR) 2003-07-09 EP disclosed
WO-2002030867-A2 DRUGS FOR DIABETES NICOX S.A. (FR) 2002-04-18 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 (4 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 CA12 2544/4885CA1 1912/4885CA2 1735/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 CA12 3168/4885CA1 2096/4885CA2 1920/4885
US-20040023890-A1 Drugs for diabetes SLC5A2, ADORA2B, UGT2B7 CA12 236/4885CA1 610/4885CA2 79/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 CA12 2851/4885CA1 2822/4885CA2 1279/4885

“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.