SCHEMBL2883256

SCHEMBL2883256

O=[N+]([O-])c1nonc1-c1[nH]nc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TLR9 Q9NR96 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
SCHEMBL2890927 0.75 CA12 (0.55) CA12CA1CA2CA9MEN1
SCHEMBL29088214 0.73 CA12 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL2883169 0.73 CA12 (0.41) CA12CA1CA2CA9
SCHEMBL2888771 0.69 CA12 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL28532559 0.67 CA12 (0.41) CA12CA1CA2CA9
SCHEMBL2453463 0.66 HTT (0.33) NPC1ALDH1A1MAPTHTTRAB9A
SCHEMBL30838856 0.66 CA12 (0.46) CA12CA1CA2CA9
SCHEMBL15301854 0.66 CA12 (0.43) CA12CA1CA2CA9MEN1
SCHEMBL14295796 0.65 HTT (0.50) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL2456150 0.65 CCNE2 (0.36) MEN1USP2KMT2AKEAP1NFE2L2

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 8 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
EP-2125796-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM SNPE Matériaux Energétiques (FR) 2009-12-02 EP claimed
WO-2008102092-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM SNPE MATERIAUX ENERGETIQUES (FR) 2008-08-28 WO 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 CA12 4413/4885CA1 1875/4885CA2 2421/4885

“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.