Nitric Acid

Nitric Acid

SCHEMBL1368

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

nearest known ligand 0.72

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
HTR3E A5X5Y0 3/20 0.72
HTR3B O95264 3/20 0.72
HTR3A P46098 3/20 0.72
HTR3D Q70Z44 3/20 0.72
HTR3C Q8WXA8 3/20 0.72
PLAU P00749 2/20 0.59
HGFAC Q04756 1/20 0.56
SIGMAR1 Q99720 1/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
PRSS1 P07477 3/20 0.51
PRSS2 P07478 3/20 0.51
PRSS3 P35030 3/20 0.51
F2 P00734 2/20 0.51
ALDH1A1 P00352 5/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47

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
SCHEMBL3812219 0.97 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL5471239 0.81 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL7813484 0.80 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL1363670 0.80 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL2862598 0.80 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL3250038 0.80 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6279588 0.80 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6233522 0.80 NOS1 (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13057993 0.79 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL3860515 0.79 PLAU (0.92) PLAUHGFACTSHRPRSS1PRSS2

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 25 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
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
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-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 US disclosed
CN-100451015-C Preparing method of imatinib HANGZHOU SHENGMEI MEDICINE TEC (CN) 2009-01-14 CN disclosed
CN-101016293-A Preparing method of imatinib HANGZHOU SHENGMEI MEDICINE TEC (CN) 2007-08-15 CN disclosed
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
WO-2004099186-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM CO., LTD. (KR) 2004-11-18 WO disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US disclosed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed
US-6579983-B1 Potent and selective inhibitors of receptor tyrosine kinases involved in angiogenesis, especially KDR kinase and/or FGFr kinase CELLTECH R&D LIMITED (GB) 2003-06-17 US disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 US disclosed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 WO 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

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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX HTR3E 3226/4885HTR3B 3322/4885HTR3A 3741/4885
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR HTR3E 1499/4885HTR3B 1512/4885HTR3A 664/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 HTR3E 3249/4885HTR3B 3261/4885HTR3A 3743/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR HTR3E 1249/4885HTR3B 1267/4885HTR3A 544/4885

“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.