Nitric Acid

Nitric Acid

SCHEMBL5034246

Cc1cc(C)cc(N=C(N)N)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
HTR3E A5X5Y0 7/20 0.48
HTR3B O95264 7/20 0.48
HTR3A P46098 7/20 0.48
HTR3D Q70Z44 7/20 0.48
HTR3C Q8WXA8 7/20 0.48
PLAU P00749 5/20 0.47
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
SLC22A3 O75751 1/20 0.45
TSHR P16473 1/20 0.42
GPR35 Q9HC97 1/20 0.38
POLB P06746 2/20 0.38
NOS1 P29475 2/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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 SCHEMBL13739226 0.88 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL1665 0.88 TSHR (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27886596 0.85 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL7813484 0.82 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL28348863 0.78 TSHR (0.62) TSHRGPR35KDM4EMEN1ALDH1A1
Nitric Acid SCHEMBL6033747 0.77 PLAU (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL6034160 0.77 PLAU (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL6953528 0.77 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL6980748 0.74 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL11561556 0.74 PLAU (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605946-B1 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2008-05-28 EP disclosed
US-7276502-B2 Thiazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-02 US disclosed
EP-1605946-A2 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-12-21 EP disclosed
US-20050004150-A1 For therapy and prophylaxis of immunodeficiency disorders, inflammatory diseases, allergic diseases, autoimmune diseases, proliferative disorders, immunologically-mediated diseases, or respiratory disorders VERTEX PHARMACEUTICALS INCORPORATED 2005-01-06 US disclosed
WO-2004087699-A2 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-14 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-20050004150-A1 For therapy and prophylaxis of immunodeficiency disorders, inflammatory diseases, allergic diseases, autoimmune diseases, proliferative disorders, immunologically-mediated diseases, or respiratory disorders TSLP, JAK1, SERPINB1 HTR3E 4031/4885HTR3B 4083/4885HTR3A 4233/4885

“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.