SCHEMBL2890666

SCHEMBL2890666

O=[N+]([O-])c1cc[nH]c1-c1[nH]ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 9/20 0.42
GPR35 Q9HC97 1/20 0.41
HSD17B10 Q99714 1/20 0.39
TSHR P16473 4/20 0.38
CYP3A4 P08684 3/20 0.38
MAPT P10636 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
BLM P54132 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38

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
SCHEMBL6376947 0.83 ALDH1A1 (0.52) ALDH1A1TDP1HSD17B10LMNACYP1A2
SCHEMBL9015211 0.80 ALDH1A1 (0.44) ALDH1A1TDP1GPR35HSD17B10TSHR
SCHEMBL7782705 0.80 MAPK1 (0.44) ALDH1A1TDP1TSHRMAPTLMNA
SCHEMBL12778730 0.78
SCHEMBL1774516 0.78
SCHEMBL31472833 0.78
SCHEMBL28595029 0.78 ALDH1A1 (0.44) ALDH1A1TDP1GPR35TSHRMAPT
SCHEMBL8128194 0.77 MAPT (0.45) ALDH1A1TDP1CYP3A4MAPTLMNA
SCHEMBL9229308 0.75 HSD17B10 (0.46) ALDH1A1TDP1HSD17B10TSHRMAPT
SCHEMBL8044178 0.75 ALDH1A1 (0.35) ALDH1A1

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 4 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

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 ALDH1A1 315/4885TDP1 1555/4885GPR35 333/4885

“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.