SCHEMBL3597197

SCHEMBL3597197

O=C1C(c2nc3c(cc2O)OCO3)c2ccccc2N1Cc1ccc(C(F)(F)F)o1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.46
SCN7A Q01118 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
CACNA1G O43497 3/20 0.35
CACNA1H O95180 3/20 0.35
CACNA1I Q9P0X4 3/20 0.35
GSK3B P49841 2/20 0.33
ADK P55263 1/20 0.33
GNRHR P30968 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.30
CHRM1 P11229 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
SCHEMBL18606884 0.87 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734441 0.81 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL15314993 0.79 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734398 0.78 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734397 0.77 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL18748271 0.77 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2303894 0.77 SCN9A (0.41) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL12470092 0.76 SCN9A (0.40) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281608 0.76 SCN9A (0.44) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3604833 0.76 SCN9A (0.59) SCN9ASCN7ASCN5ASCN2ASCN8A

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 2 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

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.