SCHEMBL10310693

SCHEMBL10310693

O=S(=O)(Nc1ccncn1)c1ccc(N2CCC(CN3CCCc4ccccc43)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 4/20 0.40
TSHR P16473 3/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HCRTR1 O43613 1/20 0.40
SCN8A Q9UQD0 3/20 0.37
SCN9A Q15858 6/20 0.37
SCN5A Q14524 3/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SCN1A P35498 1/20 0.35
PKM P14618 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL2625912 0.82 OGG1 (0.49) LMNAALDH1A1GAATSHRHTT
SCHEMBL2625825 0.73 NAMPT (0.42) LMNAALDH1A1GAAHTTSMN1; SMN2
SCHEMBL2626357 0.72 SCN9A (0.43) LMNAALDH1A1SMN1; SMN2SCN9AMAPT
SCHEMBL12735321 0.71 SCN9A (0.41) LMNAALDH1A1SMN1; SMN2SCN8ASCN9A
SCHEMBL2625885 0.71 SCN9A (0.50) LMNAALDH1A1GAASMN1; SMN2SCN8A
SCHEMBL1576422 0.71 HTR6 (0.54) LMNAALDH1A1SCN9ASCN5AKDM4E
SCHEMBL1604313 0.70 SCN9A (0.40) LMNASCN9ATP53
SCHEMBL1604311 0.70 SCN9A (0.40) LMNASCN9ATP53
SCHEMBL2626458 0.70 SCN9A (0.40) LMNASCN9ATP53
SCHEMBL2626523 0.70 NAMPT (0.44) LMNAGAASMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 LMNA 4119/4885ALDH1A1 2795/4885GAA 1787/4885

“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.