Nitric Acid

Nitric Acid

SCHEMBL4476359

COc1cc(NC(=N)N)cc(C(F)(F)F)c1.O=[N+]([O-])O

nearest known ligand 0.46

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
TMPRSS4 Q9NRS4 2/20 0.46
EPHX2 P34913 1/20 0.46
P2RX1 P51575 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
MAPT P10636 8/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10310440 0.91 TMPRSS4 (0.50) TMPRSS4EPHX2P2RX1HDAC3HDAC1
Nitric Acid SCHEMBL1183979 0.86 PLAU (0.49) PLGPLAUMAPTMEN1KMT2A
Nitric Acid SCHEMBL4476163 0.86 P2RX1 (0.48) TMPRSS4P2RX1MAPTLMNANPSR1
Nitric Acid SCHEMBL1673 0.80 P2RX1 (0.51) TMPRSS4P2RX1MAPTMEN1KMT2A
Nitric Acid SCHEMBL4467533 0.80 ACP1 (0.48) TMPRSS4P2RX1HDAC3HDAC1HDAC2
Nitric Acid SCHEMBL4474668 0.79 ATF1 (0.46) TMPRSS4P2RX1MAPTLMNA
Nitric Acid SCHEMBL4479271 0.76 ALDH1A1 (0.55) MAPTMEN1KMT2AHTTLMNA
Nitric Acid SCHEMBL1363033 0.76 PLAU (0.54) PLAUMAPTMEN1KMT2AMAPK1
SCHEMBL11884384 0.75 MAPT (0.52) P2RX1MAPTKDM4ELMNA
SCHEMBL1184608 0.75 PLAU (0.54) PLGPLAUMAPTKDM4EMEN1

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 9 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-7279473-B2 Pyrazolopyridazine derivatives SMITHKLINE BEECHAM CORPORATION (US) 2007-10-09 US disclosed
EP-1463730-B1 PYRAZOLOPYRIDAZINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2006-04-19 EP 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
US-20050090507-A1 Pyrazolopyridazine derivatves SMITHKLINE BEECHAM CORPORATION 2005-04-28 US disclosed
EP-1463730-A1 PYRAZOLOPARIDAZINE DERIVATIVES SmithKline Beecham Corporation (US) 2004-10-06 EP disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO disclosed
WO-2003051886-A1 PYRAZOLOPYRIDAZINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 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 (2 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-20050090507-A1 Pyrazolopyridazine derivatves CDK4, CDK3, CDK8 TMPRSS4 1892/4885EPHX2 3387/4885P2RX1 3557/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP TMPRSS4 3498/4885EPHX2 3648/4885P2RX1 2462/4885

“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.