SCHEMBL3636660

SCHEMBL3636660

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.33
ALDH1A1 P00352 3/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
HTT P42858 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
S100A4 P26447 1/20 0.31
GPR35 Q9HC97 1/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
CYP3A4 P08684 1/20 0.30
ATM Q13315 1/20 0.30
RAB9A P51151 1/20 0.30
ABCC8 Q09428 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
SCHEMBL9762596 0.77 MAPT (0.31) MAPT
SCHEMBL9526956 0.77 ALDH1A1 (0.32) MAPTALDH1A1CASP7CASP6HTT
SCHEMBL2453463 0.76 HTT (0.33) MAPTALDH1A1CASP7CASP6HTT
SCHEMBL2456150 0.74 CCNE2 (0.36) MAPTHTTCYP1A2CYP2D6CYP2C9
Ammonia Solution, Strong SCHEMBL28547173 0.74 HTT (0.32) MAPTHTTCYP1A2CYP2D6CYP2C9
SCHEMBL14295796 0.74 HTT (0.50) MAPTALDH1A1CASP7CASP6HTT
SCHEMBL3634566 0.74 DYRK1A (0.31) MAPTALDH1A1CASP7CASP6CYP1A2
SCHEMBL29169668 0.72 KDM4E (0.34) MAPTALDH1A1CASP7CASP6HTT
SCHEMBL28848249 0.71 MAPT (0.33) MAPTALDH1A1CASP7CASP6HTT
SCHEMBL3632711 0.70 MAPT (0.32) MAPTHTTGPR35NPC1SMN1; SMN2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155688-B1 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM. HERAKLES (FR) 2015-08-05 EP claimed
EP-2155688-A2 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM. SNPE Matériaux Energétiques (FR) 2010-02-24 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
EP-2155688-B1 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM. HERAKLES (FR) 2015-08-05 EP disclosed
EP-2155688-B1 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM. HERAKLES (FR) 2015-08-05 EP disclosed
US-8440839-B2 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them HERAKLES (FR) 2013-05-14 US disclosed
US-8440839-B2 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them HERAKLES (FR) 2013-05-14 US disclosed
US-8440839-B2 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them HERAKLES (FR) 2013-05-14 US disclosed
US-20120323017-A1 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM EURENCO (FR) 2012-12-20 US disclosed
US-20120323017-A1 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM EURENCO (FR) 2012-12-20 US disclosed
US-8273784-B2 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them HERAKLES (FR) 2012-09-25 US disclosed
US-8273784-B2 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them HERAKLES (FR) 2012-09-25 US disclosed
EP-2155688-A2 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM. SNPE Matériaux Energétiques (FR) 2010-02-24 EP disclosed
US-20090186931-A1 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them ARIANEGROUP SAS (FR) 2009-07-23 US disclosed
US-20090186931-A1 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them ARIANEGROUP SAS (FR) 2009-07-23 US 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 MAPT 3354/4885ALDH1A1 1495/4885CASP7 2839/4885
US-20090186931-A1 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them NQO2, HRH4, NFE2L2 MAPT 3611/4885ALDH1A1 2148/4885CASP7 3042/4885

“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.