Nitric Acid

Nitric Acid

SCHEMBL4467533

N=C(N)Nc1cc(Br)cc(C(F)(F)F)c1.O=[N+]([O-])O

nearest known ligand 0.48

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
ACP1 P24666 1/20 0.48
TMPRSS4 Q9NRS4 3/20 0.43
P2RX4 Q99571 2/20 0.41
P2RX7 Q99572 2/20 0.41
P2RX1 P51575 3/20 0.40
KDR P35968 3/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
GPR35 Q9HC97 1/20 0.39
NOTUM Q6P988 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 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
Nitric Acid SCHEMBL4476163 0.90 P2RX1 (0.48) ACP1TMPRSS4P2RX4P2RX7P2RX1
Nitric Acid SCHEMBL1673 0.83 P2RX1 (0.51) TMPRSS4P2RX4P2RX7P2RX1GPR35
Nitric Acid SCHEMBL4474668 0.82 ATF1 (0.46) TMPRSS4P2RX4P2RX7P2RX1GPR35
Nitric Acid SCHEMBL4476359 0.80 TMPRSS4 (0.46) TMPRSS4P2RX1HDAC3HDAC1HDAC2
Nitric Acid SCHEMBL4479271 0.79 ALDH1A1 (0.55) MAPTCA12CA1CA2CA9
Nitric Acid SCHEMBL13739225 0.78 LMNA (0.36) ACP1GPR35HDAC3HDAC4HDAC1
SCHEMBL11884384 0.78 MAPT (0.52) ACP1P2RX4P2RX7P2RX1GPR35
Nitric Acid SCHEMBL2856189 0.78 KIF11 (0.53) MAPTCA12CA1CA2CA9
SCHEMBL5448110 0.77 ACP1 (0.60) ACP1TMPRSS4P2RX4P2RX7P2RX1
SCHEMBL27264663 0.74 P2RX4 (0.53) ACP1TMPRSS4P2RX4P2RX7KDR

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 ACP1 829/4885TMPRSS4 3498/4885P2RX4 2611/4885

“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.