Nitric Acid

Nitric Acid

SCHEMBL2073971

CC(=O)NCc1ccccc1NC(=N)N.O=[N+]([O-])O

nearest known ligand 0.41

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
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SETDB1 Q15047 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SIRT1 Q96EB6 1/20 0.37
MTNR1A P48039 1/20 0.36
NQO2 P16083 1/20 0.36
RORC P51449 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35

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
SCHEMBL4163436 0.92 SETDB1 (0.44) ALDH1A1SETDB1SIRT1MTNR1ANQO2
SCHEMBL9222061 0.78 ALDH1A1 (0.53) SMN1; SMN2LMNAHTTALDH1A1SETDB1
Nitric Acid SCHEMBL6034441 0.78 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2LMNAHTT
Nitric Acid SCHEMBL4160107 0.76 PTPN1 (0.47) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4161752 0.75 HPGD (0.55) MEN1KMT2ASMN1; SMN2LMNAHTT
Nitric Acid SCHEMBL2073972 0.74 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL24260601 0.74 GRIN2D (0.42) LMNAHTTALDH1A1CYP3A4CYP2C19
Nitric Acid SCHEMBL1587383 0.74 GRIN2D (0.52) MEN1KMT2ASMN1; SMN2LMNAHTT
Nitric Acid SCHEMBL1587379 0.74 GRIN2D (0.52) MEN1KMT2ASMN1; SMN2LMNAHTT
Nitric Acid SCHEMBL6033278 0.73 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1

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 MEN1 3957/4885KMT2A 1224/4885SMN1; SMN2 2791/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 MEN1 3957/4885KMT2A 1224/4885SMN1; SMN2 2791/4885

“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.