SCHEMBL22117239

SCHEMBL22117239

NCCCOCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 16/20 0.38
SCN8A Q9UQD0 16/20 0.38
SCN5A Q14524 9/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL22117193 0.86 SCN1A (0.35) SCN1ASCN8A
SCHEMBL22163544 0.84 AXL (0.36) SCN1ASCN8ASCN5ASCN9A
SCHEMBL22117274 0.84 SCN1A (0.35) SCN1ASCN8ASCN5A
SCHEMBL22323213 0.83 SCN1A (0.41) SCN1ASCN8ASCN5ASCN9A
SCHEMBL22117227 0.83 SCN1A (0.35) SCN1ASCN8ASCN5A
SCHEMBL19968815 0.82 SCN1A (0.39) SCN1ASCN8ASCN5ASCN9A
SCHEMBL29464855 0.82 SCN1A (0.39) SCN1ASCN8ASCN5ASCN9A
SCHEMBL22163594 0.81
SCHEMBL24360868 0.77 SCN1A (0.39) SCN1ASCN8ASCN5ASCN9A
SCHEMBL19927705 0.77 SCN1A (0.38) SCN1ASCN8ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220071971-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-03-10 US disclosed
EP-3898621-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2021-10-27 EP disclosed
CN-113227087-A Macrocyclic compounds and their use in the treatment of disease 诺华股份有限公司 2021-08-06 CN disclosed
WO-2020128925-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2020-06-25 WO 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-20220071971-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, PKD1, PKD2 SCN1A 168/4885SCN8A 875/4885SCN5A 189/4885

“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.