Nitric Acid

Nitric Acid

SCHEMBL4474668

N=C(N)Nc1cc(C(N)=O)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 15)

geneUniProtsupporting neighboursconfidence
ATF1 P18846 1/20 0.46
NFKB1 P19838 1/20 0.46
P2RX1 P51575 8/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
GPR35 Q9HC97 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
MAPT P10636 1/20 0.40
P2RY14 Q15391 1/20 0.40
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
P2RX4 Q99571 1/20 0.37
P2RX7 Q99572 1/20 0.37

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 SCHEMBL4476163 0.89 P2RX1 (0.48) P2RX1CA12CA1CA2CA9
Nitric Acid SCHEMBL1673 0.82 P2RX1 (0.51) P2RX1CA12CA1CA2CA9
Nitric Acid SCHEMBL4467533 0.82 ACP1 (0.48) P2RX1CA12CA1CA2CA9
SCHEMBL6376058 0.81 P2RY14 (0.50) ATF1NFKB1P2RX1CA12CA1
Nitric Acid SCHEMBL4476359 0.79 TMPRSS4 (0.46) P2RX1TMPRSS4MAPTLMNA
Nitric Acid SCHEMBL4479271 0.78 ALDH1A1 (0.55) CA12CA1CA2CA9MAPT
SCHEMBL11884384 0.77 MAPT (0.52) NFKB1P2RX1CA12CA1CA2
Nitric Acid SCHEMBL2856189 0.77 KIF11 (0.53) CA12CA1CA2CA9MAPT
SCHEMBL6779576 0.74 RHOC (0.48) ATF1NFKB1P2RX1GPR35LMNA
SCHEMBL27401708 0.74 P2RX1 (0.43) ATF1NFKB1P2RX1CA12CA1

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 ATF1 3489/4885NFKB1 2035/4885P2RX1 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.