SCHEMBL29481996

SCHEMBL29481996

O=S(=O)(Nc1ccncn1)c1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 10/20 0.54
SCN5A Q14524 10/20 0.54
SCN8A Q9UQD0 10/20 0.54
KDM4E B2RXH2 2/20 0.46
SCN9A Q15858 5/20 0.45
EDNRA P25101 2/20 0.45
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EDNRB P24530 1/20 0.43

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
SCHEMBL1094422 1.00 SCN1A (0.54) SCN1ASCN5ASCN8AKDM4ESCN9A
SCHEMBL30201091 0.83 SCN1A (0.54) SCN1ASCN5ASCN8ASCN9A
SCHEMBL29835236 0.82 SCN1A (0.59) SCN1ASCN5ASCN8ASCN9A
SCHEMBL31003503 0.82 ALDH1A1 (0.55) SCN1ASCN5ASCN8AKDM4ESCN9A
SCHEMBL1094469 0.82 SCN1A (0.56) SCN1ASCN5ASCN8AKDM4ESCN9A
SCHEMBL29482006 0.80 SCN1A (0.50) SCN1ASCN5ASCN8ASCN9A
SCHEMBL20095732 0.80 SCN1A (0.50) SCN1ASCN5ASCN8ASCN9A
SCHEMBL1095053 0.79 EDNRA (0.55) SCN1ASCN5ASCN8AKDM4ESCN9A
SCHEMBL31258825 0.79 EDNRA (0.55) SCN1ASCN5ASCN8AKDM4ESCN9A
SCHEMBL1094173 0.78 POLB (0.55) KDM4ESCN9AGAAALDH1A1

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-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 US disclosed
WO-2023028056-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-03-02 WO disclosed
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-03-17 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-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS CACNA1E, TRPV1, SCN3A SCN1A 10/4885SCN5A 51/4885SCN8A 58/4885
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TRPV1, HCN4, TRPA1 SCN1A 54/4885SCN5A 42/4885SCN8A 60/4885

“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.