SCHEMBL16293979

SCHEMBL16293979

COc1cc(C#N)c(-c2cc(F)cc(F)c2)cc1I

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 10/20 0.39
▸ AR P10275 3/20 0.39
▸ PGR P06401 2/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CTSA P10619 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SQOR Q9Y6N5 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
SCHEMBL28802585 0.80 MAOA (0.52) ARPGRPRKCQKDM4EUSP2
SCHEMBL16290599 0.76 KIT (0.35) SCN9A
SCHEMBL16296943 0.73 SCN9A (0.36) SCN9AARPRKCQCTSAMAOA
SCHEMBL16296854 0.73 SCN9A (0.37) SCN9AKDM4E
SCHEMBL9240185 0.72 PGR (0.43) ARPGRKDM4EALDH1A1SQOR
SCHEMBL28802607 0.68 MAOA (0.52) ARPGRKDM4EALDH1A1MAOA
SCHEMBL16294479 0.68 SCN9A (0.41) SCN9AKDM4EALDH1A1SQOR
SCHEMBL16290971 0.68 SCN9A (0.40) SCN9ACTSA
SCHEMBL16290988 0.67 KDM4E (0.41) ARKDM4EUSP2ALDH1A1
SCHEMBL6739415 0.67 ALDH1A1 (0.44) ARPGRKDM4EUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776995-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-10-03 — — US disclosed
US-9776995-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-10-03 — — US disclosed
US-9776995-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-10-03 — — US disclosed
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors AMGEN INC. 2016-05-19 — — US disclosed
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors AMGEN INC. 2016-05-19 — — US disclosed
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors AMGEN INC. 2016-05-19 — — US disclosed
WO-2014201173-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2014-12-18 — — WO disclosed
WO-2014201173-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2014-12-18 — — 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-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors SCN7A, SCN1A, SCN5A SCN9A 11/4885AR 4266/4885PGR 4778/4885

“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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