Nitric Acid

Nitric Acid

SCHEMBL2283510

N=C(N)Nc1cccc([N+](=O)[O-])c1.O=[N+]([O-])O

nearest known ligand 0.64

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
KMT2A Q03164 4/20 0.64
MAPT P10636 4/20 0.64
POLB P06746 3/20 0.64
MEN1 O00255 3/20 0.64
DDX3X O00571 1/20 0.64
HTT P42858 1/20 0.64
CTDSP1 Q9GZU7 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
BLM P54132 1/20 0.57
ALDH1A1 P00352 4/20 0.56
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL1592991 0.97 KMT2A (0.68) KMT2AMAPTPOLBMEN1DDX3X
Hydrochloric Acid SCHEMBL1592637 0.95 KMT2A (0.66) KMT2AMAPTPOLBMEN1DDX3X
SCHEMBL6725074 0.83 KMT2A (0.72) KMT2AMAPTPOLBMEN1DDX3X
Nitric Acid SCHEMBL2075832 0.83 KMT2A (0.53) KMT2AMAPTPOLBMEN1DDX3X
Nitric Acid SCHEMBL7231544 0.83 KMT2A (0.53) KMT2AMAPTPOLBMEN1DDX3X
SCHEMBL14170 0.82 KMT2A (0.75) KMT2AMAPTPOLBMEN1DDX3X
Nitric Acid SCHEMBL7234512 0.81 MAPT (0.53) KMT2AMAPTMEN1HTTALDH1A1
Nitric Acid SCHEMBL1363668 0.81 MEN1 (0.50) KMT2AMAPTPOLBMEN1HTT
Nitric Acid SCHEMBL1880262 0.81 CYP1A2 (0.54) KMT2AMAPTMEN1HTTSMN1; SMN2
Nitric Acid SCHEMBL3250036 0.81 MEN1 (0.48) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102372690-B Intermediate for synthesizing imatinib and application of intermediate in imatinib synthesis CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD 2014-05-28 CN disclosed
CN-101654416-B N-[3-nitro-4-methyl-phenyl]-4-aldehyde group-benzamide and preparation method thereof as well as preparation method of derivatives thereof CHENGDU SHENHUANG MEDICINE TECHNOLOGY CO LTD 2013-06-05 CN disclosed
CN-102372690-A Intermediate for synthesizing imatinib and application of intermediate in imatinib synthesis CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD 2012-03-14 CN disclosed
US-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-7897605-B2 Pyrimidine compounds CYCLACEL LIMITED (GB) 2011-03-01 US disclosed
CN-101654416-A N-[3-nitro-4-methyl-phenyl]-4-aldehyde group-benzamide and preparation method thereof as well as preparation method of derivatives thereof CHENGDU HUTCHISON CHINA MEDICI 2010-02-24 CN disclosed
EP-1641805-B1 THIAZOLO-, OXAZALO AND IMIDAZOLO-QUINAZOLINE COMPOUNDS CAPABLE OF INHIBITING PROTEIN KINASES CYCLACEL LTD (GB) 2010-01-13 EP disclosed
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 US disclosed
US-7595323-B2 N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof IL YANG PHARM. CO., LTD. (KR) 2009-09-29 US disclosed
US-7576091-B2 Thiazolo-, oxazalo and imidazolo-quinazoline compounds capable of inhibiting protein kinases CYCLACEL LIMITED (GB) 2009-08-18 US disclosed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 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
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 WO disclosed
EP-0564409-B1 Pyrimidin derivatives and process for their preparation NOVARTIS AG (CH) 2000-01-19 EP disclosed
CN-1043531-C Pyrimidine derivatives and a process for production thereof NOVATIS AG (CH) 1999-06-02 CN disclosed
US-5521184-A ANTITUMOR AGENTS; imatinib mesylate CIBA-GEIGY CORPORATION (US) 1996-05-28 US disclosed
CN-1077713-A Pyrimidine derivatives and preparation method thereof CIBA GEIGY AG (CH) 1993-10-27 CN disclosed
EP-0564409-A1 Pyrimidin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-10-06 EP disclosed
US-4724200-A CRYSTAL STRUCTURE EASTMAN KODAK COMPANY (US) 1988-02-09 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 KMT2A 526/4885MAPT 2289/4885POLB 180/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 KMT2A 3186/4885MAPT 2586/4885POLB 4560/4885
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy ABL1, CDK2, JAK2 KMT2A 1495/4885MAPT 1185/4885POLB 1895/4885

“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.