SCHEMBL1102137

SCHEMBL1102137

O=C(CCN1CCCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 14/20 0.60
CHRM4 P08173 13/20 0.60
CHRM1 P11229 13/20 0.60
CHRM3 P20309 10/20 0.60
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 2/20 0.50
RORC P51449 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
SCN9A Q15858 1/20 0.45
NPC1 O15118 1/20 0.44
MAPK1 P28482 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
SCHEMBL1102115 0.95 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL1102024 0.91 MEN1 (0.64) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL1102260 0.86 CHRM2 (0.73) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL1102069 0.83 SCN3A (0.55) MEN1KMT2ARORCSCN9A
SCHEMBL1102070 0.81 CHRM2 (0.65) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL1102131 0.80 MAPT (0.53) MEN1KMT2AALDH1A1MAPTSCN9A
SCHEMBL1091209 0.77 MEN1 (0.64) CHRM2CHRM4CHRM1MEN1KMT2A
SCHEMBL1102023 0.77 KMT2A (0.57) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL29930240 0.77 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL28638610 0.77 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 CHRM2 1093/4885CHRM4 1075/4885CHRM1 1682/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 CHRM2 1093/4885CHRM4 1075/4885CHRM1 1682/4885

“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.