Nitric Acid

Nitric Acid

SCHEMBL2073972

CC(=O)NCc1cccc(NC(=N)N)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
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
AOC3 Q16853 1/20 0.41
CYP19A1 P11511 1/20 0.41
GRB2 P62993 1/20 0.40
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
F10 P00742 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
USP2 O75604 1/20 0.39
SENP5 Q96HI0 1/20 0.39
SENP2 Q9HC62 1/20 0.39
SENP1 Q9P0U3 1/20 0.39

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
SCHEMBL4163441 0.92 MAPT (0.47) SMN1; SMN2MAPTMEN1KMT2AAOC3
Nitric Acid SCHEMBL4160107 0.84 PTPN1 (0.47) SMN1; SMN2MAPTMEN1KMT2AAOC3
[3-(Hydroxymethyl)Phenyl]Guanidine SCHEMBL5355312 0.81 TRPV1 (0.48) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL26761200 0.81 GRB2 (0.54) SMN1; SMN2MAPTAOC3GRB2KIF11
SCHEMBL19222909 0.79 NPSR1 (0.56) MAPTMEN1KMT2AAOC3ALDH1A1
Nitric Acid SCHEMBL7265166 0.79 SIRT1 (0.47) SMN1; SMN2MAPTMEN1KMT2AGAA
Nitric Acid SCHEMBL1185253 0.79 SIRT1 (0.47) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL6675597 0.79 CYP1A2 (0.51) MAPTKMT2AAOC3GRB2KIF11
Nitric Acid SCHEMBL1185784 0.77 MAPT (0.42) SMN1; SMN2MAPTMEN1KMT2AGAA
Nitric Acid SCHEMBL27716568 0.77 MAPT (0.42) SMN1; SMN2MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897605-B2 Pyrimidine compounds CYCLACEL LIMITED (GB) 2011-03-01 US disclosed
US-20080287439-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2008-11-20 US disclosed
US-7432260-B2 Pyrimidine compounds CYCLACEL LIMTED (GB) 2008-10-07 US disclosed
EP-1864983-A1 PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS Cyclacel Limited (GB) 2007-12-12 EP disclosed
US-20050192300-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2005-09-01 US disclosed
EP-1567522-A1 PYRIMIDINE COMPOUNDS Cyclacel Limited (GB) 2005-08-31 EP disclosed
WO-2004043953-A1 PYRIMIDINE COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 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-20080287439-A1 Pyrimidine compounds CDK2, CCNI, CDK6 SMN1; SMN2 2791/4885MAPT 1954/4885MEN1 3957/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 SMN1; SMN2 2791/4885MAPT 1954/4885MEN1 3957/4885

“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.