SCHEMBL12782829

SCHEMBL12782829

O=C(COc1ccc(Cl)cc1)N1CCc2ccc(S(=O)(=O)Nc3nccs3)cc2C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 5/20 0.62
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SCN9A Q15858 7/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.46
SCN1B Q07699 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
PPIA P62937 1/20 0.45
MAPT P10636 1/20 0.45
SCN5A Q14524 1/20 0.44

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
SCHEMBL12782840 0.92 SCN3A (0.62) SCN3AALDH1A1MEN1KMT2APKM
SCHEMBL12782783 0.91 SCN3A (0.62) SCN3AALDH1A1SCN9AMEN1KMT2A
SCHEMBL12783349 0.89 SCN3A (0.60) SCN3AALDH1A1PKMSCN1BSCN8A
SCHEMBL12782944 0.89 SCN3A (0.62) SCN3AALDH1A1SCN9APKMSCN1B
SCHEMBL12783343 0.87 SCN3A (0.55) SCN3ASCN9APKMSCN1BSCN8A
SCHEMBL12782931 0.85 SCN3A (0.84) SCN3ALMNASMN1; SMN2ALDH1A1SCN9A
SCHEMBL12845590 0.84 SCN3A (0.71) SCN3ASMN1; SMN2ALDH1A1SCN9AMEN1
SCHEMBL12845725 0.84 SCN3A (0.59) SCN3ASMN1; SMN2ALDH1A1SCN9AMEN1
SCHEMBL2075384 0.84 SCN3A (0.57) SCN3ALMNASMN1; SMN2SCN9A
SCHEMBL12845613 0.84 SCN3A (0.53) SCN3ALMNASMN1; SMN2SCN9ASCN8A

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-8362032-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 US disclosed
US-8362032-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 US disclosed
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7786137-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786137-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20090012117-A1 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-01-08 US disclosed
US-20090012117-A1 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-01-08 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-20090012117-A1 Bicyclic derivatives as modulators of ion channels CACNA1C, CACNA1B, CACNA1D SCN3A 17/4885LMNA 2631/4885SMN1; SMN2 2130/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D SCN3A 17/4885LMNA 2631/4885SMN1; SMN2 2130/4885

“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.