SCHEMBL3756103

SCHEMBL3756103

CCCCNC(=O)C1c2ccccc2C(=O)N1CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.62
KCNH2 Q12809 9/20 0.62
SCN5A Q14524 8/20 0.62
KCNA5 P22460 6/20 0.60
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KCNQ2 O43526 1/20 0.49
SCN2A Q99250 1/20 0.49

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
SCHEMBL3751848 0.89 KCNA5 (0.69) SCN9AKCNH2SCN5AKCNA5GAA
SCHEMBL3752465 0.87 KCNA5 (0.69) SCN9AKCNH2SCN5AKCNA5GAA
SCHEMBL3748769 0.87 KCNA5 (0.56) SCN9AKCNH2SCN5AKCNA5GAA
SCHEMBL3756567 0.85 SCN9A (0.76) SCN9AKCNH2SCN5AKCNA5KCNQ2
SCHEMBL3753987 0.85 SCN9A (0.54) SCN9AKCNH2SCN5AKCNA5GAA
SCHEMBL3755957 0.84 SCN9A (0.61) SCN9AKCNH2SCN5AKCNA5KCNQ2
SCHEMBL3940525 0.83 KCNH2 (0.55) SCN9AKCNH2SCN5AKCNA5GAA
SCHEMBL3755348 0.83 GAA (0.68) KCNH2KCNA5GAAKMT2AALDH1A1
SCHEMBL3758125 0.83 KCNH2 (0.52) SCN9AKCNH2SCN5AKCNA5GAA
SCHEMBL3755556 0.83 KCNA5 (0.61) SCN9AKCNH2SCN5AKCNA5GAA

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-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 SCN9A 119/4885KCNH2 2/4885SCN5A 48/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 SCN9A 177/4885KCNH2 2/4885SCN5A 26/4885

“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.