SCHEMBL12845952

SCHEMBL12845952

O=C(COc1ccccc1)N1CCCc2cc(S(=O)(=O)Nc3ncns3)ccc21

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.76
SCN9A Q15858 8/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SCN5A Q14524 2/20 0.44
SCN1A P35498 1/20 0.44
SCN8A Q9UQD0 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
SCHEMBL11948278 0.91 SCN3A (0.68) SCN3ASCN9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL12845693 0.89 SCN3A (0.73) SCN3ASCN9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL12845837 0.86 SCN3A (0.73) SCN3ASCN9ASMN1; SMN2LMNATP53
SCHEMBL12782906 0.86 SCN3A (1.00) SCN3ASCN9ASMN1; SMN2LMNAKMT2A
SCHEMBL2077854 0.86 SCN3A (0.76) SCN3ASCN9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL12783333 0.86 SCN3A (0.84) SCN3ASCN9ASMN1; SMN2LMNAKMT2A
SCHEMBL12783447 0.84 SCN3A (0.83) SCN3ASCN9ALMNAMAPTSCN5A
SCHEMBL12783098 0.83 SCN3A (0.79) SCN3ASCN9ASMN1; SMN2LMNAKMT2A
SCHEMBL12845694 0.82 SCN3A (0.63) SCN3ASCN9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL12782786 0.81 SCN3A (0.81) SCN3ASCN9AKMT2AMEN1SCN5A

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 6 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-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 17/4885SCN9A 92/4885SMN1; SMN2 2130/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D SCN3A 17/4885SCN9A 92/4885SMN1; 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.