Nitric Acid

Nitric Acid

SCHEMBL6033747

NC(N)=Nc1cc(F)c(F)c(F)c1.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 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.47
HTR3E A5X5Y0 6/20 0.41
HTR3B O95264 6/20 0.41
HTR3A P46098 6/20 0.41
HTR3D Q70Z44 6/20 0.41
HTR3C Q8WXA8 6/20 0.41
SLC22A2 O15244 2/20 0.41
SLC22A1 O15245 2/20 0.41
SLC22A3 O75751 2/20 0.41
POLB P06746 1/20 0.38
HGFAC Q04756 3/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ADRA2A P08913 3/20 0.34
ADRA2B P18089 3/20 0.34
ADRA2C P18825 3/20 0.34
NOS1 P29475 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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 SCHEMBL6034160 0.85 PLAU (0.47) PLAUHTR3EHTR3BHTR3AHTR3D
Nitric Acid SCHEMBL6034777 0.81 PLAU (0.53) PLAUHTR3EHTR3BHTR3AHTR3D
Nitric Acid SCHEMBL11561556 0.78 PLAU (0.49) PLAUHTR3EHTR3BHTR3AHTR3D
Nitric Acid SCHEMBL4613845 0.77 PLAU (0.73) PLAUHTR3EHTR3BHTR3AHTR3D
Nitric Acid SCHEMBL5034246 0.77 HTR3E (0.48) PLAUHTR3EHTR3BHTR3AHTR3D
Nitric Acid SCHEMBL6034257 0.76 ITGB3 (0.60) PLAUHTR3EHTR3BHTR3AHTR3D
Nitric Acid SCHEMBL3859434 0.76 PLAU (0.51) PLAUHTR3EHTR3BHTR3AHTR3D
Nitric Acid SCHEMBL1363670 0.75 HTR3E (0.48) PLAUHTR3EHTR3BHTR3AHTR3D
Nitric Acid SCHEMBL6034737 0.74 HTR3E (0.55) PLAUHTR3EHTR3BHTR3AHTR3D
Nitric Acid SCHEMBL2910175 0.74 HTR3E (0.61) PLAUHTR3EHTR3BHTR3AHTR3D

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
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

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 PLAU 3039/4885HTR3E 1499/4885HTR3B 1512/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR PLAU 3100/4885HTR3E 1249/4885HTR3B 1267/4885

“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.