Nitric Acid

Nitric Acid

SCHEMBL2544082

N=C(N)Nc1ccc(Cl)cc1.O=[N+]([O-])O

nearest known ligand 0.53

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
NPC1 O15118 3/20 0.53
MAPT P10636 9/20 0.53
ALDH1A1 P00352 7/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 4/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL1186622 0.87 NPC1 (0.61) NPC1MAPTALDH1A1MEN1KMT2A
Nitric Acid SCHEMBL2852035 0.84 PEPD (0.52) MAPTALDH1A1MEN1KMT2ALMNA
Bicarbonate SCHEMBL3281891 0.83 NPC1 (0.64) NPC1MAPTALDH1A1MEN1KMT2A
Nitric Acid SCHEMBL3860512 0.82 KMT2A (0.59) NPC1MAPTALDH1A1MEN1KMT2A
Nitric Acid SCHEMBL4613840 0.82 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2ALMNA
Nitric Acid SCHEMBL9982936 0.82 LMNA (0.49) NPC1MAPTALDH1A1MEN1KMT2A
Nitric Acid SCHEMBL1833737 0.82 MEN1 (0.46) NPC1MAPTALDH1A1MEN1KMT2A
Nitric Acid SCHEMBL1184061 0.82 CA1 (0.44) MEN1KMT2ACA12CA1CA2
Nitric Acid SCHEMBL4463275 0.82 IDO1 (0.42) MAPTALDH1A1MEN1KMT2ALMNA
Phenylguanidine SCHEMBL2847797 0.81 MAPT (0.50) NPC1MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263901-A1 Process of Preparation of Proguanil USV LTD. (IN) 2011-10-27 US disclosed
EP-2150528-A2 PROCESS FOR PREPARATION OF PROGUANIL HYDROCHLORIDE USV Limited (IN) 2010-02-10 EP disclosed
WO-2009113092-A2 PROCESS FOR PREPARATION OF PROGUANIL HYDROCHLORIDE USV LIMITED (IN) 2009-09-17 WO disclosed
CN-100355751-C 2-substd. 4-heteroaryl-pyrimidines and their use in treatment of proliferative disorders CYCLACEL LTD (GB) 2007-12-19 CN disclosed
US-6699854-B2 2-SUBSTITUTED 4-HETEROARYL- PYRIMIDINES, INHIBITORS OF CYCLIN-DEPENDENT KINASES (CDKS) CYCLACEL LIMITED (GB) 2004-03-02 US disclosed
US-20030149057-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2003-08-07 US disclosed
CN-1420884-A 2-substituted 4-heteroaryl-pyrimidines and their use in the treatment of proliferative diseases CYCLACEL LTD (GB) 2003-05-28 CN disclosed
US-6531479-B2 Anticancer agents, skin disorders CYCLACEL LIMITED (GB) 2003-03-11 US disclosed
EP-1274705-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2003-01-15 EP disclosed
US-20020019404-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2002-02-14 US disclosed
WO-2001072745-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2001-10-04 WO disclosed
US-4587337-A Process for the preparation of 2-amino-s-triazines SKW TROSTBERG AKTIENGESELLSCHAFT (DE) 1986-05-06 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 (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-20020019404-A1 Anti-cancer compounds CDK3, CDK2, CDK4 NPC1 3873/4885MAPT 2289/4885ALDH1A1 3103/4885
US-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 NPC1 3873/4885MAPT 2289/4885ALDH1A1 3103/4885
US-20110263901-A1 Process of Preparation of Proguanil GCG, PREP, G6PD NPC1 2777/4885MAPT 3758/4885ALDH1A1 2610/4885

“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.