SCHEMBL3247450

SCHEMBL3247450

COc1cccc(/C=C/c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.63
TRPA1 O75762 1/20 0.63
CYP19A1 P11511 4/20 0.57
PRMT1 Q99873 1/20 0.49
GAA P10253 1/20 0.48
GFER P55789 1/20 0.48
AR P10275 1/20 0.48
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP1B1 Q16678 2/20 0.48
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TLR9 Q9NR96 1/20 0.47
PTGS2 P35354 1/20 0.46

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
SCHEMBL2112646 1.00 NFE2L2 (0.63) NFE2L2TRPA1CYP19A1PRMT1GAA
SCHEMBL9840898 0.84 CYP19A1 (0.53) NFE2L2TRPA1CYP19A1GAACYP1A1
SCHEMBL9840908 0.84 CYP19A1 (0.53) NFE2L2TRPA1CYP19A1GAACYP1A1
SCHEMBL27841658 0.84 NFE2L2 (0.56) NFE2L2TRPA1CYP19A1PRMT1GAA
SCHEMBL27841655 0.83 CYP19A1 (0.58) NFE2L2TRPA1CYP19A1CYP1A1CYP1A2
SCHEMBL10466720 0.81 PRMT1 (0.72) CYP19A1PRMT1GAAGFERAR
SCHEMBL10466719 0.81 PRMT1 (0.72) CYP19A1PRMT1GAAGFERAR
SCHEMBL5385330 0.81 KDM4E (0.59) NFE2L2PRMT1GAAGFERAR
SCHEMBL5385338 0.81 KDM4E (0.59) NFE2L2PRMT1GAAGFERAR
SCHEMBL3792954 0.80 RAB9A (0.42) NFE2L2TRPA1CYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776347-B1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2010-05-26 EP disclosed
US-7396958-B2 Sulphonamide derivatives, their preparation and their therapeutic application SANOFI AVENTIS (FR) 2008-07-08 US disclosed
US-20070185136-A1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2007-08-09 US disclosed
EP-1776347-A1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Sanofi-Aventis (FR) 2007-04-25 EP disclosed
WO-2006024779-A1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2006-03-09 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-20070185136-A1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HCRTR2, GIPR, SSTR2 NFE2L2 2700/4885TRPA1 695/4885CYP19A1 3475/4885

“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.