SCHEMBL1102267

SCHEMBL1102267

O=C(Cn1ccc2cccc(F)c21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
PKM P14618 1/20 0.43
SCN9A Q15858 15/20 0.43
SCN5A Q14524 9/20 0.43
SCN3A Q9NY46 1/20 0.39

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
SCHEMBL1102021 0.91 PKM (0.42) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL1102119 0.89 SCN9A (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL9974087 0.86 MEN1 (0.61) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL1102120 0.81 SCN9A (0.47) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL1102061 0.79 PKM (0.42) MEN1ALDH1A1MAPTKMT2APKM
SCHEMBL10165492 0.78 ALDH1A1 (0.42) MEN1ALDH1A1KMT2AKDM4E
SCHEMBL9972276 0.77 PKM (0.59) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL9974116 0.75 ALDH1A1 (0.61) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL9974127 0.75 MEN1 (0.61) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL15116313 0.74 ALDH1A1 (0.61) MEN1ALDH1A1MAPTKMT2AKDM4E

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 MEN1 2329/4885ALDH1A1 2811/4885MAPT 1883/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 MEN1 2329/4885ALDH1A1 2811/4885MAPT 1883/4885

“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.