SCHEMBL4172971

SCHEMBL4172971

Cc1ccnc(CC2CCCN2C(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 5/20 0.44
TRPC6 Q9Y210 5/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TRPA1 O75762 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
SCN9A Q15858 3/20 0.42
SCD5 Q86SK9 2/20 0.40
SCN8A Q9UQD0 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
RAB9A P51151 1/20 0.37
PKM P14618 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4180040 0.86 TRPC3 (0.44) TRPC3TRPC6ALDH1A1CYP2C9CYP2C19
SCHEMBL4180047 0.86 TRPC3 (0.47) TRPC3TRPC6ALDH1A1CYP2C9CYP2C19
SCHEMBL4175037 0.84 SCD5 (0.53) TRPC3TRPC6ALDH1A1CYP2C9CYP2C19
SCHEMBL4183923 0.83 TRPC3 (0.47) TRPC3TRPC6ALDH1A1CYP2C9CYP2C19
SCHEMBL4176159 0.81 TRPC3 (0.61) TRPC3TRPC6ALDH1A1CYP2C9CYP2C19
SCHEMBL3154164 0.81 SCN9A (0.51) ALDH1A1SCN9ASCN8AMEN1KMT2A
SCHEMBL4166426 0.80 DPP4 (0.47) TRPC3TRPC6ALDH1A1CYP2C9CYP2C19
SCHEMBL4176246 0.80 DPP4 (0.49) SCN9ASCD5HCRTR1HCRTR2CYP3A4
SCHEMBL4172925 0.79 TRPC3 (0.49) TRPC3TRPC6ALDH1A1CYP2C9CYP2C19
SCHEMBL4177448 0.79 TRPC3 (0.54) TRPC3TRPC6ALDH1A1CYP2C9CYP2C19

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-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 (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-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 TRPC3 57/4885TRPC6 84/4885ALDH1A1 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.