Sugi Predict

Sugi Predict / Compounds / SCHEMBL2453463

SCHEMBL2453463

SCHEMBL2453463

O=[N+]([O-])c1n[nH]c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ MAPT P10636 4/20 0.31
▸ ABCC8 Q09428 2/20 0.31
▸ KCNJ11 Q14654 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ CASP6 P55212 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 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
Ammonia Solution, Strong SCHEMBL28547173 0.98 HTT (0.32) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2890957 0.79 ABCC8 (0.42) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29277393 0.79 MAPT (0.32) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2457899 0.76 MAPT (0.33) GALR3MAPT
SCHEMBL6684736 0.76 ADORA2A (0.42) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14295796 0.76 HTT (0.50) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3632711 0.76 MAPT (0.32) HTTMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14295795 0.76 MAPT (0.35) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2456150 0.76 CCNE2 (0.36) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3636660 0.76 MAPT (0.33) HTTCYP1A2CYP2D6CYP2C9CYP2C19

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 92 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-118324697-A High-energy low-inductance eutectic compound based on 3,4, 5-trinitropyrazole and preparation method thereof 常州千沐新能源有限公司 2024-07-12 — — CN claimed
WO-2023111472-A1 METHOD FOR PREPARING 3,5-DINITROPYRAZOLE ARIANEGROUP SAS (FR) 2023-06-22 — — WO claimed
CN-114149372-B Nitropyrazole energetic compound and synthesis method thereof 湖北航天化学技术研究所 2023-06-06 — — CN claimed
CN-115010666-A Nitro-mimic functional group substituted polynitroazole energetic compound and application thereof 北京理工大学 2022-09-06 — — CN claimed
EP-4048653-A1 ENERGETIC AMINO ACID SALTS WITH HIGH OXYGEN BALANCE ArianeGroup SAS (FR) 2022-08-31 — — EP claimed
CN-114149372-A Nitropyrazole energetic compound and synthesis method thereof 湖北航天化学技术研究所 2022-03-08 — — CN claimed
EP-3844153-A1 METHOD FOR PREPARING NITROPYRAZOLES ArianeGroup SAS (FR) 2021-07-07 — — EP claimed
US-20210198210-A1 METHOD FOR PREPARING NITROPYRAZOLES EURENCO (FR) 2021-07-01 — — US claimed
WO-2020043998-A1 METHOD FOR PREPARING NITROPYRAZOLES ARIANEGROUP SAS (FR) 2020-03-05 — — WO claimed
CN-106866322-A Hexanitrohexaazaisowurtzitane and the trinitro- pyrazoles cocrystallized explosive of 1 methyl 3,4,5 and preparation method thereof 中国工程物理研究院化工材料研究所 2017-06-20 — — CN claimed
CN-106432192-A Preparation method and performance of high-energy insensitive N-(3,5-binitro-1H-pyrazol-4-yl)-1H-tetrazole-5-amine ionic salt structure 北京理工大学 2017-02-22 — — CN claimed
EP-2155688-B1 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM. HERAKLES (FR) 2015-08-05 — — EP 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

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-20250042859-A1 METHOD FOR PREPARING 3,5-DINITROPYRAZOLE AP3S1, CYP3A43, CYP3A7 HTT 4101/4885CYP1A2 30/4885CYP2D6 39/4885
US-20090186931-A1 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them NQO2, HRH4, NFE2L2 HTT 1582/4885CYP1A2 334/4885CYP2D6 1236/4885
US-20210198210-A1 METHOD FOR PREPARING NITROPYRAZOLES CYB5R3, SIGMAR1, NOS3 HTT 3682/4885CYP1A2 27/4885CYP2D6 95/4885

“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.