Nitric Acid

Nitric Acid

SCHEMBL4138682

CC(=O)Oc1ccccc1C(=O)Oc1ccc(CO[N+](=O)[O-])nc1C.O=[N+]([O-])O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Nitric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.54
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
PTGS1 P23219 2/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
GGT1 P19440 1/20 0.39
BLM P54132 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38

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
SCHEMBL4128980 0.98 PTGS2 (0.56) PTGS2HSD17B10KDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL4120907 0.97 PTGS2 (0.55) PTGS2HSD17B10KDM4ELMNACYP1A2
Nitric Acid SCHEMBL28748383 0.90 PTGS2 (0.42) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL7851267 0.88 PTGS2 (0.43) PTGS2HSD17B10KDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL7130432 0.87 PTGS2 (0.59) PTGS2HSD17B10KDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL7845555 0.87 PTGS2 (0.42) PTGS2HSD17B10KDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL4134235 0.86 HPGD (0.42) PTGS2HSD17B10KDM4ELMNAMAPT
Nitric Acid SCHEMBL4027674 0.84 PTGS2 (0.60) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL3651806 0.81 PTGS2 (0.63) PTGS2HSD17B10KDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL4029457 0.81 PTGS2 (0.61) PTGS2HSD17B10KDM4ELMNACYP1A2

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 9 patents. 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
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
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 EP disclosed
US-6613784-B1 Cyclooxygenase inhibitors such as 2-acetyloxybenzoic acid 6-(nitroxymethyl)-2-methylpyridinyl ester hydrochloride, having good kinetics, solubility and efficiency; nontoxic NICOX S.A. (FR) 2003-09-02 US disclosed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS 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 (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 PTGS2 110/4885HSD17B10 550/4885KDM4E 3984/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 PTGS2 141/4885HSD17B10 510/4885KDM4E 2184/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 PTGS2 64/4885HSD17B10 606/4885KDM4E 4320/4885

“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.