Sugi Predict

Sugi Predict / Compounds / SCHEMBL2457768

SCHEMBL2457768

SCHEMBL2457768

O=[N+]([O-])c1cn([N+](=O)[O-])nc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.50
▸ NOS2 P35228 1/20 0.50
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GPR35 Q9HC97 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
SCHEMBL4561815 0.78 NOS1 (0.49) NOS1NOS2MAPTALDH1A1POLB
SCHEMBL12335522 0.77 ALDH1A1 (0.47) MAPTALDH1A1POLBKDM4EL3MBTL1
SCHEMBL28371275 0.72 NOS1 (0.37) NOS1NOS2MAPTALDH1A1KDM4E
SCHEMBL30137927 0.71 MAPT (0.39) NOS1NOS2MAPTALDH1A1POLB
SCHEMBL28848242 0.71 ALDH1A1 (0.39) NOS1NOS2MAPTALDH1A1POLB
SCHEMBL22518568 0.71 MAPT (0.36) NOS1NOS2MAPTALDH1A1POLB
SCHEMBL17304129 0.69 MEN1 (0.33) NOS1NOS2MAPTALDH1A1POLB
SCHEMBL24752604 0.67 ALDH1A1 (0.40) MAPTALDH1A1POLBL3MBTL1LMNA
SCHEMBL4197934 0.67 NOS1 (0.58) NOS1NOS2MAPTALDH1A1POLB
SCHEMBL579924 0.67 NOS1 (1.00) NOS1NOS2MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322174-B Iodine-enriched energetic compound and preparation method and application thereof 北京理工大学 2024-01-26 — — CN claimed
CN-116606253-A Iodinated energetic compound based on pyrazole ring, and preparation method and application thereof 北京理工大学 2023-08-18 — — CN claimed
CN-116514821-A 5,6, 5-s-triazine ternary condensed ring energetic compound and preparation method thereof 北京理工大学 2023-08-01 — — CN claimed
CN-116514785-A Tetrazolyl-containing energetic compound and preparation method and application thereof 北京理工大学 2023-08-01 — — CN 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-115322174-A Iodine-enriched energetic compound and preparation method and application thereof 北京理工大学 2022-11-11 — — 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
WO-2021079069-A1 ENERGETIC AMINO ACID SALTS WITH HIGH OXYGEN BALANCE ARIANEGROUP SAS (FR) 2021-04-29 — — WO claimed
EP-2155688-B1 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM. HERAKLES (FR) 2015-08-05 — — EP claimed
US-8440839-B2 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them HERAKLES (FR) 2013-05-14 — — US claimed
US-20120323017-A1 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM EURENCO (FR) 2012-12-20 — — 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
CN-120118035-A Synthesis method of 1-methyl-3, 4, 5-trinitropyrazole 西南科技大学 2025-06-10 — — CN disclosed
WO-2008152525-A2 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM. SNPE MATERIAUX ENERGETIQUES (FR) 2008-12-18 — — 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-20120323017-A1 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM NFE2L2, NFE2, RELA NOS1 229/4885NOS2 56/4885MAPT 3354/4885
US-20090186931-A1 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them NQO2, HRH4, NFE2L2 NOS1 115/4885NOS2 25/4885MAPT 3611/4885

“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.