Nitric Acid

Nitric Acid

SCHEMBL4915048

COc1ccccc1N=C(N)N.O=[N+]([O-])O

nearest known ligand 0.54

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 2/20 0.54
NOS3 P29474 2/20 0.51
NOS1 P29475 2/20 0.51
NOS2 P35228 2/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL5244489 0.88 GRIN2D (0.62) PLAUNOS3NOS1NOS2GRIN2D
Hydrochloric Acid SCHEMBL3720772 0.86 NOS3 (0.63) PLAUNOS3NOS1NOS2GRIN2D
Nitric Acid SCHEMBL3860675 0.79 TDP1 (0.55) PLAUNOS1GRIN2DGRIN3BGRIN1
Nitric Acid SCHEMBL7804174 0.79 HTR3E (0.63) PLAUGRIN2DGRIN3BGRIN1GRIN2A
Nitric Acid SCHEMBL1587377 0.78 PLAU (0.59) PLAUGRIN2DGRIN3BGRIN1GRIN2A
Nitric Acid SCHEMBL1587382 0.78 PLAU (0.59) PLAUGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11877783 0.75 HTT (0.59) PLAUNOS1GRIN2DGRIN3BGRIN1
Nitric Acid SCHEMBL6970026 0.75 PLAU (0.59) PLAUNOS3NOS1NOS2GRIN2D
Nitric Acid SCHEMBL6955447 0.74 HTR3E (0.77) PLAUGRIN2DGRIN3BGRIN1GRIN2A
1,2-Dimethoxybenzene SCHEMBL28171095 0.72 ALDH1A1 (0.65) ALDH1A1TDP1L3MBTL1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family DEVGEN NV (BE) 2008-05-29 US disclosed
EP-1819330-A1 5-CARBOXAMIDO SUBSTITUED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY Devgen N.V. (BE) 2007-08-22 EP disclosed
WO-2006058905-A1 5-CARBOXAMIDO SUBSTITUTED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE Kv FAMILY DEVGEN NV (BE) 2006-06-08 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-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family KCNA5, KCNA1, KCNJ2 PLAU 4553/4885NOS3 4148/4885NOS1 4447/4885

“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.