SCHEMBL6131346

SCHEMBL6131346

O=[N+]([O-])c1nc([N+](=O)O)n[nH]1.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 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
Ammonia Solution, Strong SCHEMBL9727425 0.96 CYP1A2 (0.36) CYP1A2CYP2C9
SCHEMBL6131370 0.96 CYP1A2 (0.36) CYP1A2CYP2C9
SCHEMBL1172467 0.82 CYP1A2 (0.40) CYP1A2CYP2C9
Potassium Ion SCHEMBL6131368 0.80 CYP1A2 (0.39) CYP1A2CYP2C9
Potassium SCHEMBL6131371 0.80 CYP1A2 (0.39) CYP1A2CYP2C9
SCHEMBL6131347 0.80 CYP1A2 (0.39) CYP1A2CYP2C9
SCHEMBL9471612 0.71 CYP1A2 (0.31) CYP1A2CYP2C9
SCHEMBL9476367 0.71 CYP1A2 (0.31) CYP1A2CYP2C9
SCHEMBL11318233 0.70 CYP1A2 (0.53) CYP1A2CYP2C9
SCHEMBL9518950 0.70 MAPT (0.44) CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881847-B2 Process for the synthesis and recovery of nitramines ALLIANT TECHSYSTEMS INC. (US) 2005-04-19 US disclosed
US-20040024223-A1 Process for the synthesis and recovery of nitramines NORTHROP GRUMMAN SYSTEMS CORPORATION 2004-02-05 US disclosed
US-6603018-B2 Rockets; propullants ALLIANT TECHSYSTEMS INC. 2003-08-05 US disclosed
US-6552051-B2 Useful as high energy oxidizing agents in explosive and propellant formulations, and drugs for vasodilation SRI INTERNATIONAL 2003-04-22 US disclosed
US-20020156291-A1 Process for the synthesis and recovery of nitramines ORBITAL ATK, INC. (F/K/A ALLIANT TECHSYSTEMS INC.) 2002-10-24 US disclosed
WO-2002060881-A1 PROCESS FOR THE SYNTHESIS AND RECOVERY OF NITRAMINES ALLIANT TECHSYSTEMS INC. (US) 2002-08-08 WO disclosed
US-20010044544-A1 Energetic nitramine-linked azoles and related compounds as oxidizers, initiators and gas generators BOTTARO JEFFREY C (US) 2001-11-22 US disclosed
EP-1119544-A1 ENERGETIC NITRAMINE-LINKED AZOLES AND HYDROXYLAMMONIUM SALTS AS OXIDIZERS, INITIATORS AND GAS GENERATORS SRI INTERNATIONAL (US) 2001-08-01 EP disclosed
US-6255512-B1 HIGH ENERGY OXIDIZING AGENTS IN EXPLOSIVE COMPOSITIONS, PROPELLANT FORMULATIONS, GAS-GENERATING COMPOSITIONS, ANDPHARMACEUTICAL AGENTS SRI INTERNATIONAL 2001-07-03 US disclosed
US-6096774-A Energetic nitramine-linked azoles and hydroxylammonium salts as oxidizers, intiators and gas generators SRI INTERNATIONAL (US) 2000-08-01 US disclosed
WO-2000020382-A1 ENERGETIC NITRAMINE-LINKED AZOLES AND HYDROXYLAMMONIUM SALTS AS OXIDIZERS, INITIATORS AND GAS GENERATORS SRI INTERNATIONAL (US) 2000-04-13 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 (3 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-20020156291-A1 Process for the synthesis and recovery of nitramines NNMT, PNMT, NISCH CYP1A2 507/4885CYP2C9 777/4885
US-20010044544-A1 Energetic nitramine-linked azoles and related compounds as oxidizers, initiators and gas generators NOX1, NOXO1, NOX5 CYP1A2 265/4885CYP2C9 590/4885
US-20040024223-A1 Process for the synthesis and recovery of nitramines NNMT, NCL, PNMT CYP1A2 585/4885CYP2C9 854/4885

“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.