SCHEMBL196953

SCHEMBL196953

O=[N+]([O-])c1nccn1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
CYP2C19 P33261 1/20 0.41
TYMP P19971 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
OPRK1 P41145 1/20 0.37
ALDH1A1 P00352 1/20 0.33
NOS1 P29475 1/20 0.30

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
SCHEMBL4262422 0.74
SCHEMBL8975255 0.74
SCHEMBL6131634 0.74
SCHEMBL1979557 0.74
SCHEMBL3955047 0.74
SCHEMBL6236180 0.74
SCHEMBL17635577 0.74
SCHEMBL63265 0.74
SCHEMBL3607267 0.74
SCHEMBL7555585 0.74

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658991-A Abnormal-shape difunctional crosslinking agent and preparation method and application thereof 南昌大学 2024-03-08 CN claimed
US-9746300-B1 Voltage induced porosity in insensitive munition THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2017-08-29 US claimed
JP-2012500183-A 2012-01-05 JP claimed
EP-1650211-B1 Process for preparing imidazopyran derivatives DAISO CO LTD (JP) 2011-09-14 EP claimed
EP-2323990-A1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF Dynamit Nobel GmbH Explosivstoff- und Systemtechnik (DE) 2011-05-25 EP claimed
WO-2010021409-A1 METHODS FOR THE PRODUCTION OF 2-HALO-4-NITROIMIDAZOLE AND INTERMEDIATES THEREOF DYNAMIT NOBEL GMBH EXPLOSIVSTOFF - UND SYSTEMTECHNIK (DE) 2010-02-25 WO claimed
EP-2027079-A2 GAS GENERATION WITH COPPER COMPLEXED IMIDAZOLE AND DERIVATIVES Autoliv ASP, INC. (US) 2009-02-25 EP claimed
US-7470337-B2 Gas generation with copper complexed imidazole and derivatives AUTOLIV ASP, INC. (US) 2008-12-30 US claimed
WO-2008051274-A2 GAS GENERATION WITH COPPER COMPLEXED IMIDAZOLE AND DERIVATIVES AUTOLIV ASP, INC. (US) 2008-05-02 WO claimed
US-20070240797-A1 Gas generation with copper complexed imidazole and derivatives AUTOLIV ASP, INC. 2007-10-18 US claimed
US-20040024223-A1 Process for the synthesis and recovery of nitramines NORTHROP GRUMMAN SYSTEMS CORPORATION 2004-02-05 US claimed
US-6603018-B2 Rockets; propullants ALLIANT TECHSYSTEMS INC. 2003-08-05 US claimed
US-20020156291-A1 Process for the synthesis and recovery of nitramines ORBITAL ATK, INC. (F/K/A ALLIANT TECHSYSTEMS INC.) 2002-10-24 US claimed
WO-2002060881-A1 PROCESS FOR THE SYNTHESIS AND RECOVERY OF NITRAMINES ALLIANT TECHSYSTEMS INC. (US) 2002-08-08 WO claimed
US-5387297-A 2,4-dinitroimidazole- a less sensitive explosive and propellant made by thermal rearrangement of molten 1,4 dinitroimidazole THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1995-02-07 US claimed
EP-0293742-B1 PROCESS FOR THE PRODUCTION OF 4-NITRO-5-IMIDAZOLYLETHERS AND -THIOETHERS BASF Aktiengesellschaft (DE) 1992-07-22 EP claimed
US-4900825-A REACTING DINITROIMIDAZOLES WITH ALCOHOLS OR MERCAPTANS BASF AKTIENGSELLSCHAFT (DE) 1990-02-13 US claimed
EP-0348803-A1 Process for the preparation of 5-cyano-4-nitroimidazoles BASF Aktiengesellschaft (DE) 1990-01-03 EP claimed
EP-0337255-A1 Process for the preparation of 4-nitro-5-aminoimidazoles BASF Aktiengesellschaft (DE) 1989-10-18 EP claimed
EP-0293742-A1 Process for the production of 4-nitro-5-imidazolylethers and -thioethers BASF Aktiengesellschaft (DE) 1988-12-07 EP claimed

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-20020156291-A1 Process for the synthesis and recovery of nitramines NNMT, PNMT, NISCH CA12 2107/4885CA1 1042/4885CA2 1107/4885
US-20040024223-A1 Process for the synthesis and recovery of nitramines NNMT, NCL, PNMT CA12 1912/4885CA1 982/4885CA2 1176/4885

“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.