SCHEMBL4184547

SCHEMBL4184547

Cc1ncccc1OCC1CN(C(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)CCO1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.41
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDK1 Q15118 2/20 0.38
TRPC3 Q13507 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
EPHA2 P29317 1/20 0.36
SCN9A Q15858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KRAS P01116 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
SCHEMBL4173661 0.84 PDK1 (0.40) DRD4CYP2C9ALDH1A1CYP2C19PDK1
SCHEMBL4180132 0.82 HTR1A (0.44) PDK1
SCHEMBL3172078 0.82 MEN1 (0.43) ALDH1A1SCN9AMEN1KMT2A
SCHEMBL4178403 0.77 TRPC3 (0.41) CYP2C9ALDH1A1CYP2C19TRPC3TRPC6
SCHEMBL4176347 0.76 ALDH1A1 (0.43) CYP2C9ALDH1A1CYP2C19TRPC3TRPC6
SCHEMBL4176180 0.76 ALDH1A1 (0.43) CYP2C9ALDH1A1CYP2C19TRPC3TRPC6
SCHEMBL4172610 0.73 SCD5 (0.41) CYP2C9ALDH1A1CYP2C19MEN1KMT2A
SCHEMBL4171049 0.73 ALDH1A1 (0.43) CYP2C9ALDH1A1CYP2C19SCN9AMEN1
SCHEMBL4178167 0.73 TRPC3 (0.54) ALDH1A1TRPC3TRPC6SCN9AKDM5A
SCHEMBL4167596 0.73 TRPC3 (0.44) CYP2C9ALDH1A1CYP2C19TRPC3TRPC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 DRD4 3922/4885CYP2C9 1382/4885ALDH1A1 3113/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 DRD4 3922/4885CYP2C9 1382/4885ALDH1A1 3113/4885

“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.