SCHEMBL3606824

SCHEMBL3606824

O=C1C(=O)N(Cc2ccc(C(F)(F)F)o2)c2cccc(Cl)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.40
SCN7A Q01118 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
CHRM5 P08912 3/20 0.39
CHRM3 P20309 1/20 0.39
PTPN1 P18031 2/20 0.34
TGM2 P21980 1/20 0.34
CES1 P23141 3/20 0.34
BCHE P06276 2/20 0.34
CES2 O00748 1/20 0.34
ALDH1A1 P00352 2/20 0.34
APAF1 O14727 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4850993 0.86 SCN9A (0.41) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3593665 0.85 SCN9A (0.40) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL282029 0.82 SCN9A (0.47) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2304043 0.80 CHRM5 (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL30937982 0.77 CHRM5 (0.65) CHRM5CHRM3CES1BCHECES2
SCHEMBL3328870 0.74 SCN9A (0.42) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL30967408 0.73 ALDH1A1 (0.61) CHRM5CHRM3TGM2CES1BCHE
SCHEMBL28153038 0.72 CES1 (0.63) CHRM5CHRM3CES1BCHECES2
SCHEMBL5660280 0.72 LMNA (0.51) CHRM5TGM2CES1BCHECES2
SCHEMBL281593 0.72 CHRM5 (0.60) CHRM5ALDH1A1ALDH3A1CA12CA1

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-20110294842-A9 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2011-12-01 US disclosed
US-20100160362-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2010-06-24 US disclosed
EP-2076514-A1 SPIRO (FURO Ý3, 2-C¨PYRIDINE-3-3 ' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2009-07-08 EP disclosed
WO-2008046049-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3 ' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2008-04-17 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-20100160362-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN SCN3A, SCN1B, SCN2B SCN9A 38/4885SCN7A 64/4885SCN5A 36/4885
US-20110294842-A9 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN SCN3A, SCN1B, SCN2B SCN9A 38/4885SCN7A 64/4885SCN5A 36/4885

“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.