Nitric Acid

Nitric Acid

SCHEMBL4490937

N=C(N)Nc1ccc(Cl)c(Cl)c1.O=[N+]([O-])O

nearest known ligand 0.51

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
EPHX1 P07099 2/20 0.51
EPHX2 P34913 2/20 0.51
GAA P10253 1/20 0.49
ALDH1A1 P00352 3/20 0.48
IDO1 P14902 2/20 0.48
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 4/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
Nitric Acid SCHEMBL7366281 0.88 EPHX1 (0.46) EPHX1EPHX2GAAALDH1A1IDO1
SCHEMBL1995869 0.88 EPHX1 (0.59) EPHX1EPHX2GAAALDH1A1IDO1
Nitric Acid SCHEMBL6034251 0.86 MEN1 (0.51) ALDH1A1CA2MAPTNPSR1MEN1
Nitric Acid SCHEMBL27482170 0.86 MEN1 (0.51) ALDH1A1CA2MAPTNPSR1MEN1
Hydrochloric Acid SCHEMBL11879263 0.86 EPHX1 (0.57) EPHX1EPHX2GAAALDH1A1IDO1
Bicarbonate SCHEMBL7359619 0.85 EPHX1 (0.61) EPHX1EPHX2GAAALDH1A1IDO1
Nitric Acid SCHEMBL2073812 0.84 TNF (0.38) EPHX1EPHX2GAAALDH1A1IDO1
Nitric Acid SCHEMBL4482314 0.83 KDR (0.58) GAAALDH1A1CA2CA9NPSR1
Nitric Acid SCHEMBL2544082 0.81 NPC1 (0.53) GAAALDH1A1CA2CA9MAPT
Nitric Acid SCHEMBL7234512 0.79 MAPT (0.53) GAAALDH1A1IDO1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582630-B2 Pyradazine compounds as GSK-3 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-01 US disclosed
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-30 US disclosed
EP-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP EPHX1 3204/4885EPHX2 3648/4885GAA 2919/4885

“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.