SCHEMBL21877934

SCHEMBL21877934

O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCCCN2CCC3CCNCC32)cc1F

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.67
CYP3A4 P08684 11/20 0.67
SCN1A P35498 1/20 0.60
SCN5A Q14524 8/20 0.57

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
SCHEMBL20167089 1.00 SCN9A (0.67) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL30626723 0.87 SCN9A (0.69) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL20167423 0.87 SCN9A (0.69) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL18983110 0.84 SCN9A (0.67) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL26761547 0.84 SCN9A (0.45) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL30626771 0.84 SCN9A (0.65) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL20167074 0.84 SCN9A (0.65) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL18983125 0.83 SCN9A (0.64) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL20167403 0.83 SCN9A (0.65) SCN9ACYP3A4SCN1ASCN5A
SCHEMBL30626724 0.83 SCN9A (0.65) SCN9ACYP3A4SCN1ASCN5A

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-10968210-B2 Diamino-alkylamino-linked arylsulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
US-20200131167-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-04-30 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-10968210-B2 Diamino-alkylamino-linked arylsulfonamide compounds with selective activity in voltage-gated sodium channels TRPV1, SCN1A, SCN7A SCN9A 5/4885CYP3A4 3449/4885SCN1A 2/4885
US-20200131167-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS TRPV1, SCN1A, SCN7A SCN9A 5/4885CYP3A4 3449/4885SCN1A 2/4885

“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.