SCHEMBL162091

SCHEMBL162091

O=[N+]([O-])c1cc([N+](=O)[O-])[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
CYP3A4 P08684 3/20 0.32
NAMPT P43490 1/20 0.32
XDH P47989 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32

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
Ethane SCHEMBL28967597 0.96 HPGD (0.39) HPGDCYP3A4NAMPTXDHGABRA1
Butyl Formate SCHEMBL28320805 0.76 NPC1 (0.33) MAPTLMNAPOLBGRIN2DGRIN3B
SCHEMBL8023464 0.76
SCHEMBL18529294 0.76
SCHEMBL10399828 0.76
SCHEMBL3582886 0.76
SCHEMBL2427435 0.76
SCHEMBL4255025 0.76
SCHEMBL2544544 0.76
SCHEMBL10002534 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250042859-A1 METHOD FOR PREPARING 3,5-DINITROPYRAZOLE EURENCO (FR) 2025-02-06 US claimed
EP-4448496-A1 METHOD FOR PREPARING 3,5-DINITROPYRAZOLE ArianeGroup SAS (FR) 2024-10-23 EP claimed
CN-117903454-A NEMOFs material containing bisoxazole ligand and preparation method thereof 湖北航天化学技术研究所 2024-04-19 CN claimed
CN-115894453-B Pyrazole compound, energetic ionic salt thereof and preparation method thereof 南京理工大学 2024-04-02 CN claimed
CN-116970180-A Double-ligand energetic metal complex and preparation method thereof 北京理工大学 2023-10-31 CN claimed
WO-2023111472-A1 METHOD FOR PREPARING 3,5-DINITROPYRAZOLE ARIANEGROUP SAS (FR) 2023-06-22 WO claimed
CN-116041340-A 3-amino-4- (4-amino-5-hydrazino-1, 2, 4-triazol-3-yl) furazan and energetic ionic salts thereof 南京理工大学 2023-05-02 CN claimed
CN-115894453-A Imidazole compound, energetic ionic salt thereof and preparation method 南京理工大学 2023-04-04 CN claimed
EP-3555622-B1 METHODS AND SYSTEMS FOR QUANTITATIVE IMMUNOHISTOCHEMISTRY VENTANA MED SYST INC (US) 2023-02-22 EP claimed
CN-110256350-B Pyrazole ligand, zero-dimensional functional complex, preparation method and application thereof 郑州大学 2022-10-11 CN claimed
CN-103980199-B The preparation method of amino-3, the 5-binitropyrazoles of 1- INST. OF CHEMICAL MATERIAL, CHINESE INST. OF ENGINEERING PHYSICS (CN) 2016-03-16 CN claimed
EP-2155688-B1 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM. HERAKLES (FR) 2015-08-05 EP claimed
CN-103980199-A Preparation method of 1-amino-3, 5-dinitryl pyrazol INST CHEMICAL MATERIAL CHINA ACADEMY ENGINEERING PHYSICS 2014-08-13 CN claimed
US-8273784-B2 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them HERAKLES (FR) 2012-09-25 US claimed
EP-2130821-B1 Derivatives of 3,4,5-trinitropyrazole, their preparation and the energetic compositions containing them SME (FR) 2011-09-21 EP claimed
EP-2155688-A2 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM. SNPE Matériaux Energétiques (FR) 2010-02-24 EP claimed
EP-2130821-A1 Derivatives of 3,4,5-trinitropyrazole, their preparation and the energetic compositions containing them SNPE Matériaux Energétiques (FR) 2009-12-09 EP claimed
US-20090186931-A1 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them ARIANEGROUP SAS (FR) 2009-07-23 US claimed
WO-2008152525-A2 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM. SNPE MATERIAUX ENERGETIQUES (FR) 2008-12-18 WO claimed
US-4300962-A Ammonium nitrate explosive systems THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1981-11-17 US 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-20250042859-A1 METHOD FOR PREPARING 3,5-DINITROPYRAZOLE AP3S1, CYP3A43, CYP3A7 HPGD 669/4885CYP3A4 15/4885NAMPT 61/4885
US-20090186931-A1 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them NQO2, HRH4, NFE2L2 HPGD 120/4885CYP3A4 486/4885NAMPT 663/4885

“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.