Nitric Acid

Nitric Acid

SCHEMBL6033973

N=C(N)Nc1ccc(OCCO)cc1.O=[N+]([O-])O

nearest known ligand 0.47

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 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PRSS1 P07477 3/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RECQL P46063 1/20 0.39
EPHX2 P34913 1/20 0.38
TMPRSS2 O15393 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 SCHEMBL7232747 0.84 HRH3 (0.54) MAPTALDH1A1POLB
Nitric Acid SCHEMBL6033843 0.84 HRH3 (0.54) MAPTALDH1A1POLB
Nitric Acid SCHEMBL7232743 0.84 HRH3 (0.54) MAPTALDH1A1POLB
Nitric Acid SCHEMBL6034079 0.83 TBXAS1 (0.46) MAPTALDH1A1GAAMEN1KMT2A
Nitric Acid SCHEMBL5354098 0.79 ALDH1A1 (0.52) MAPTALDH1A1GAAMEN1KMT2A
Nitric Acid SCHEMBL6034193 0.78 TBXAS1 (0.69) ALDH1A1MEN1KMT2ALMNA
SCHEMBL14599523 0.78 PRMT1 (0.59) PRSS1TMPRSS2
Nitric Acid SCHEMBL2076135 0.78 TSHR (0.49) MAPTALDH1A1MEN1KMT2ACA12
Nitric Acid SCHEMBL6033955 0.77 TBXAS1 (0.45) MAPTALDH1A1GAAMEN1KMT2A
Nitric Acid SCHEMBL6033717 0.77 SMN1; SMN2 (0.51) MAPTALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US disclosed
US-6579983-B1 Potent and selective inhibitors of receptor tyrosine kinases involved in angiogenesis, especially KDR kinase and/or FGFr kinase CELLTECH R&D LIMITED (GB) 2003-06-17 US disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 US disclosed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 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-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR MAPT 3073/4885ALDH1A1 873/4885GAA 2928/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR MAPT 3079/4885ALDH1A1 859/4885GAA 3142/4885

“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.