SCHEMBL12783333

SCHEMBL12783333

O=C(COc1ccc(Cl)cc1)N1CCc2cc(S(=O)(=O)Nc3ncns3)ccc21

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.84
SCN9A Q15858 10/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC22A12 Q96S37 1/20 0.44
SCN5A Q14524 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12782906 0.91 SCN3A (1.00) SCN3ASCN9AMAPTLMNAHTT
SCHEMBL12782786 0.91 SCN3A (0.81) SCN3ASCN9AMEN1KMT2ASLC22A12
SCHEMBL12783447 0.89 SCN3A (0.83) SCN3ASCN9AMAPTLMNASCN5A
SCHEMBL12783098 0.88 SCN3A (0.79) SCN3ASCN9AMAPTLMNAHTT
SCHEMBL12845837 0.86 SCN3A (0.73) SCN3ASCN9AMAPTLMNASLC22A12
SCHEMBL12845952 0.86 SCN3A (0.76) SCN3ASCN9AMAPTLMNAMEN1
SCHEMBL12782931 0.86 SCN3A (0.84) SCN3ASCN9ALMNAMEN1KMT2A
SCHEMBL11948278 0.86 SCN3A (0.68) SCN3ASCN9AMAPTLMNAMEN1
SCHEMBL12845693 0.84 SCN3A (0.73) SCN3ASCN9AMAPTLMNAHTT
SCHEMBL11948143 0.82 SCN3A (0.61) SCN3ASCN9ALMNAHTTMEN1

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 17/4885SCN9A 92/4885MAPT 2309/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D SCN3A 17/4885SCN9A 92/4885MAPT 2309/4885

“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.