SCHEMBL18096752

SCHEMBL18096752

Cn1nc(N)c2ccc(-c3cccc(F)c3OCC(F)(F)C(F)(F)F)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 1.00
▸ SCN5A Q14524 6/20 0.71
▸ AKT1 P31749 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL18096762 0.92 SCN9A (0.84) SCN9ASCN5ASCN10A
SCHEMBL18096617 0.92 SCN9A (0.85) SCN9ASCN5AAKT1
SCHEMBL18096695 0.86 SCN9A (0.76) SCN9ASCN5ASCN10A
SCHEMBL18096618 0.86 SCN9A (0.74) SCN9ASCN5A
SCHEMBL20481832 0.85 SCN9A (0.75) SCN9ASCN5ASCN10A
SCHEMBL18096708 0.84 SCN9A (0.84) SCN9ASCN5A
SCHEMBL18096704 0.84 SCN9A (1.00) SCN9ASCN5AAKT1
SCHEMBL18096684 0.83 SCN9A (1.00) SCN9ASCN5AAKT1
SCHEMBL18096594 0.83 SCN9A (1.00) SCN9ASCN5ASCN10A
SCHEMBL18096581 0.82 SCN9A (0.71) SCN9ASCN5ASCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10173985-B2 Aminoindazole derivatives as sodium channel inhibitors ALMIRALL, S.A. (ES) 2019-01-08 — — US claimed
US-20180244626-A1 AMINOINDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2018-08-30 — — US claimed
US-10173985-B2 Aminoindazole derivatives as sodium channel inhibitors ALMIRALL, S.A. (ES) 2019-01-08 — — US disclosed
US-20180244626-A1 AMINOINDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2018-08-30 — — US disclosed
EP-3274335-A1 AMINOINDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS Almirall S.A. (ES) 2018-01-31 — — EP disclosed
WO-2016150971-A1 AMINOINDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2016-09-29 — — 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 (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-20180244626-A1 AMINOINDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS SCN1B, SCN1A, SCN3A SCN9A 31/4885SCN5A 4/4885AKT1 2222/4885
US-10173985-B2 Aminoindazole derivatives as sodium channel inhibitors SCN1B, SCN1A, SCN3A SCN9A 29/4885SCN5A 4/4885AKT1 2278/4885

“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.

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