SCHEMBL12782874

SCHEMBL12782874

O=C(CCCOc1ccc(Cl)cc1Cl)N1CCc2cc(S(=O)(=O)Nc3ncns3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.60
HPGD P15428 3/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SCN9A Q15858 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SCN8A Q9UQD0 3/20 0.46
SCN1A P35498 2/20 0.46
PTPN11 Q06124 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL12783378 0.86 HPGD (0.58) HPGDMAPTNPSR1MEN1KMT2A
SCHEMBL12845723 0.83 MAPT (0.59) SCN3AHPGDMAPTNPSR1SCN9A
SCHEMBL12783575 0.82 HPGD (0.51) HPGDMAPTNPSR1MEN1KMT2A
SCHEMBL12783333 0.82 SCN3A (0.84) SCN3AMAPTSCN9AMEN1KMT2A
SCHEMBL11948143 0.80 SCN3A (0.61) SCN3AHPGDSCN9AMEN1KMT2A
SCHEMBL12783457 0.80 SCN3A (0.57) SCN3AHPGDSCN9AMEN1KMT2A
SCHEMBL12782786 0.79 SCN3A (0.81) SCN3ASCN9AMEN1KMT2ASCN8A
SCHEMBL1090961 0.78 MEN1 (0.64) SCN3AHPGDMAPTNPSR1SCN9A
SCHEMBL12783064 0.76 SCN3A (0.59) SCN3ASCN9AMEN1KMT2AADRB2
SCHEMBL11948278 0.76 SCN3A (0.68) SCN3AMAPTSCN9AMEN1KMT2A

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 17/4885HPGD 2388/4885MAPT 2309/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D SCN3A 17/4885HPGD 2388/4885MAPT 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.