SCHEMBL9972185

SCHEMBL9972185

O=C(CN1CCc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.61
PKM P14618 3/20 0.59
ALDH1A1 P00352 6/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
MAPT P10636 5/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.59
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 3/20 0.56
CYP3A4 P08684 1/20 0.56
PTGS1 P23219 1/20 0.56
SCN1A P35498 1/20 0.53
SCN4A P35499 1/20 0.53
SCN5A Q14524 1/20 0.53
SCN9A Q15858 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN8A Q9UQD0 1/20 0.53

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
SCHEMBL1091209 0.95 MEN1 (0.64) SCN3APKMALDH1A1MEN1KMT2A
SCHEMBL1102070 0.91 CHRM2 (0.65) SCN3APKMALDH1A1MEN1KMT2A
SCHEMBL9972210 0.88 AVPR2 (0.57) SCN3APKMALDH1A1MEN1KMT2A
SCHEMBL9972209 0.88 SCN3A (0.57) SCN3APKMALDH1A1MEN1KMT2A
SCHEMBL13828035 0.86 PKM (0.63) SCN3APKMALDH1A1MEN1KMT2A
SCHEMBL1102260 0.86 CHRM2 (0.73) SCN3APKMALDH1A1MEN1KMT2A
SCHEMBL9972226 0.85 PKM (0.62) SCN3APKMALDH1A1MEN1KMT2A
SCHEMBL9972227 0.85 SCN3A (0.61) SCN3APKMALDH1A1MEN1KMT2A
SCHEMBL1102054 0.83 CHRM2 (0.66) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9972264 0.83 PKM (0.56) SCN3APKMALDH1A1MEN1KMT2A

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-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 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 (1 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 SCN3A 17/4885PKM 4054/4885ALDH1A1 2811/4885

“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.