SCHEMBL173628

SCHEMBL173628

O=[N+]([O-])c1ccn([N+](=O)[O-])n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.46
PLAU P00749 2/20 0.46
KLKB1 P03952 2/20 0.46
ELANE P08246 2/20 0.46
PKM P14618 2/20 0.41
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
RECQL P46063 1/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL7759714 0.74
SCHEMBL28868986 0.74
SCHEMBL18463797 0.74
SCHEMBL9324320 0.74
SCHEMBL4184592 0.74
SCHEMBL9821780 0.74
SCHEMBL7114840 0.72 F2 (0.53) F2PLAUKLKB1ELANEKMT2A
SCHEMBL20242142 0.71 SMN1; SMN2 (0.48) F2PLAUKLKB1ELANEPKM
SCHEMBL9369399 0.71 HTT (0.68) F2PLAUKLKB1ELANEKMT2A
SCHEMBL18464502 0.71 F2 (0.44) F2PLAUKLKB1ELANEPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462505-A Synthesis method of fluoro gem dinitropyrazole inner salt 三峡大学 2025-02-18 CN claimed
CN-108610291-B Preparation method of 3, 4-dinitropyrazole 中北大学 2020-06-02 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
CN-105669557-A High-selectivity and high-yield non-solvent preparation method of 1-methyl-3,4,5-trinitropyrazole (MTNP) intermediate 3,5-dinitropyrazole 北京理工大学 2016-06-15 CN claimed
EP-2444807-B1 MONO- AND DINITROPYRAZOLE HAPTEN CONJUGATES VENTANA MED SYST INC (US) 2014-06-11 EP claimed
EP-2444806-B1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MED SYST INC (US) 2014-05-28 EP claimed
CN-119462505-B Synthesis method of fluoro gem dinitropyrazole inner salt 三峡大学 2025-10-28 CN disclosed
CN-119462505-B Synthesis method of fluoro gem dinitropyrazole inner salt 三峡大学 2025-10-28 CN disclosed
CN-119462505-A Synthesis method of fluoro gem dinitropyrazole inner salt 三峡大学 2025-02-18 CN disclosed
CN-119462505-A Synthesis method of fluoro gem dinitropyrazole inner salt 三峡大学 2025-02-18 CN disclosed
CN-119462505-A Synthesis method of fluoro gem dinitropyrazole inner salt 三峡大学 2025-02-18 CN disclosed
US-20250042859-A1 METHOD FOR PREPARING 3,5-DINITROPYRAZOLE EURENCO (FR) 2025-02-06 US disclosed
CN-119263939-A Pyrazole/guanidine chimeric explosive and preparation method thereof 中国工程物理研究院化工材料研究所 2025-01-07 CN disclosed
WO-2008153744-A2 POLYMERIC CARRIERS FOR IMMUNOHISTOCHEMISTRY AND IN SITU HYBRIDIZATION VENTANA MEDICAL SYSTEMS, INC. (US) 2008-12-18 WO disclosed
WO-2008152525-A2 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM. SNPE MATERIAUX ENERGETIQUES (FR) 2008-12-18 WO disclosed
US-20080305497-A1 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. 2008-12-11 US disclosed
US-6706889-B1 Dinitropyrazolopyrazole-amine salts useful in gun propellants THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2004-03-16 US disclosed
US-6069277-A Amination of electrophilic aromatic compounds by vicarious nucleophilic substitution THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-05-30 US disclosed
EP-0835237-A1 AMINATION OF ELECTROPHILIC AROMATIC COMPOUNDS BY VICARIOUS NUCLEOPHILIC SUBSTITUTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-15 EP disclosed
WO-1996035659-A1 AMINATION OF ELECTROPHILIC AROMATIC COMPOUNDS BY VICARIOUS NUCLEOPHILIC SUBSTITUTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-11-14 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 (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-20250042859-A1 METHOD FOR PREPARING 3,5-DINITROPYRAZOLE AP3S1, CYP3A43, CYP3A7 F2 3492/4885PLAU 4694/4885KLKB1 4370/4885
US-20080305497-A1 Polymeric carriers for immunohistochemistry and in situ hybridization FCGR2A, CD68, CA14 F2 2802/4885PLAU 4170/4885KLKB1 3288/4885

“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.