Nitric Acid

Nitric Acid

SCHEMBL4070418

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

nearest known ligand 0.50

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
TSHR P16473 1/20 0.50
F2 P00734 2/20 0.49
PRSS1 P07477 2/20 0.49
PLAU P00749 2/20 0.49
PLG P00747 1/20 0.49
KLKB1 P03952 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
TMPRSS6 Q8IU80 1/20 0.49
ST14 Q9Y5Y6 1/20 0.49
PRMT1 Q99873 1/20 0.48
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL1999045 0.89 F2 (0.59) F2PRSS1PLAUPLGKLKB1
Hydrochloric Acid SCHEMBL11226180 0.87 F2 (0.57) F2PRSS1PLAUPLGKLKB1
Nitric Acid SCHEMBL2073717 0.83 KMT2A (0.50) TSHRF2PRSS1PRSS2PRSS3
Nitric Acid SCHEMBL2852035 0.82 PEPD (0.52) TSHRF2PRSS1PLAUPRSS2
Nitric Acid SCHEMBL3860512 0.81 KMT2A (0.59) TSHRPLAUALDH1A1GAALMNA
Nitric Acid SCHEMBL4613840 0.81 ALDH1A1 (0.53) F2PRSS1PLGPRSS2PRSS3
Nitric Acid SCHEMBL2544082 0.81 NPC1 (0.53) TSHRALDH1A1GAALMNAKMT2A
Nitric Acid SCHEMBL1833737 0.81 MEN1 (0.46) TSHRF2PLAUALDH1A1LMNA
Nitric Acid SCHEMBL1184061 0.81 CA1 (0.44) F2PRSS1PLAUPRSS2PRSS3
Nitric Acid SCHEMBL9982936 0.81 LMNA (0.49) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349841-B1 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-12-02 EP disclosed
EP-1349840-B1 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-03-11 EP disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-7129242-B2 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2006-10-31 US disclosed
US-7122544-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2006-10-17 US disclosed
US-20060030576-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2006-02-09 US disclosed
EP-1608375-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK Signal Pharmaceuticals LLC (US) 2005-12-28 EP disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed
US-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-06-03 US disclosed
US-20030220330-A1 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2003-11-27 US disclosed
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2003-10-30 US disclosed
EP-1349840-A2 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-08 EP disclosed
EP-1349841-A2 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-08 EP disclosed
WO-2002046171-A2 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2002-06-13 WO disclosed
WO-2002046170-A2 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2002-06-13 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 (4 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-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK MAPK6, MAPKAPK2, DUSP6 TSHR 3185/4885F2 3533/4885PRSS1 837/4885
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE TSHR 4565/4885F2 4283/4885PRSS1 3469/4885
US-20030220330-A1 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto MAPK6, MAP3K6, MAPK1 TSHR 4042/4885F2 4427/4885PRSS1 2811/4885
US-20060030576-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE TSHR 4324/4885F2 4055/4885PRSS1 3276/4885

“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.