SCHEMBL2890957

SCHEMBL2890957

O=[N+]([O-])c1[nH]nc(-c2n[nH]c([N+](=O)[O-])c2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 5/20 0.42
KCNJ11 Q14654 5/20 0.42
MAPT P10636 6/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
GAA P10253 1/20 0.30
KMT2A Q03164 2/20 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
SCHEMBL2453463 0.79 HTT (0.33) ABCC8KCNJ11MAPTCYP1A2CYP2D6
SCHEMBL29129844 0.78 MEN1 (0.34) ABCC8KCNJ11MAPTALDH1A1HTT
SCHEMBL6684736 0.77 ADORA2A (0.42) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL28547173 0.77 HTT (0.32) ABCC8KCNJ11MAPTCYP1A2CYP2D6
SCHEMBL28581246 0.77 CCNE2 (0.36) ABCC8KCNJ11MAPTCYP1A2CYP2D6
SCHEMBL12335518 0.74 ADORA2A (0.31) CYP1A2CYP2D6CYP2C9CYP2C19HTT
SCHEMBL29277393 0.67 MAPT (0.32) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10420191 0.65 DYRK1A (0.42) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12334710 0.65 CCNE2 (0.37) MAPTALDH1A1
SCHEMBL15560478 0.65 MAPT (0.38) MAPTCYP1A2CYP2D6CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211252-B2 Furazane derivatives, preparation thereof and energetic compositions containing them EURENCO (FR) 2012-07-03 US claimed
US-20100132856-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM SNPE MATERIAUX ENERGETIQUES (FR) 2010-06-03 US claimed
US-8211252-B2 Furazane derivatives, preparation thereof and energetic compositions containing them EURENCO (FR) 2012-07-03 US disclosed
US-20100132856-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM SNPE MATERIAUX ENERGETIQUES (FR) 2010-06-03 US disclosed
EP-2125796-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM SNPE Matériaux Energétiques (FR) 2009-12-02 EP disclosed
WO-2008102092-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM SNPE MATERIAUX ENERGETIQUES (FR) 2008-08-28 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 (1 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-20100132856-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM NOX5, COX5A, TXN2 ABCC8 1734/4885KCNJ11 711/4885MAPT 4307/4885

“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.