Nitric Acid

Nitric Acid

SCHEMBL1880262

Cc1cccc(NC(=N)N)c1.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
CYP1A2 P05177 2/20 0.54
ALOX5 P09917 1/20 0.52
HSD17B10 Q99714 1/20 0.51
JAK2 O60674 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1740852 0.88 CYP1A2 (0.67) CYP1A2HSD17B10SIGMAR1GRIN2DGRIN3B
Nitric Acid SCHEMBL1184113 0.83 CYP1A2 (0.44) CYP1A2KMT2AMEN1MAPTGAA
Nitric Acid SCHEMBL7231544 0.83 KMT2A (0.53) CYP1A2SIGMAR1GRIN2DGRIN3BGRIN1
Nitric Acid SCHEMBL2075832 0.83 KMT2A (0.53) CYP1A2SIGMAR1GRIN2DGRIN3BGRIN1
Nitric Acid SCHEMBL2283510 0.81 KMT2A (0.64) KMT2AMEN1MAPTSMN1; SMN2GAA
Nitric Acid SCHEMBL2862594 0.81 MAPT (0.53) ALOX5HSD17B10KMT2AMEN1MAPT
Nitric Acid SCHEMBL1363668 0.81 MEN1 (0.50) KMT2AMEN1MAPTSMN1; SMN2GAA
Nitric Acid SCHEMBL7234512 0.81 MAPT (0.53) ALOX5HSD17B10KMT2AMEN1MAPT
Nitric Acid SCHEMBL3250036 0.81 MEN1 (0.48) KMT2AMEN1MAPTSMN1; SMN2GAA
Nitric Acid SCHEMBL27696732 0.81 SIGMAR1 (0.48) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 WO disclosed
EP-0672041-B1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2001-11-14 EP disclosed
CN-1047776-C Pharmacologically active pyridine derivatives and processes for the preparation thereof NOVARTIS AG (CH) 1999-12-29 CN disclosed
US-5728708-A ANTITUMOR AGENTS NOVARTIS CORPORATION (US) 1998-03-17 US disclosed
CN-1115982-A pyridine derivatives having pharmacological activity and preparation method thereof CIBA GEIGY AG (CH) 1996-01-31 CN disclosed
EP-0672041-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
WO-1995009853-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 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 (1 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-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT VHL, TP53, BECN1 CYP1A2 3844/4885ALOX5 2463/4885HSD17B10 1138/4885

“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.