SCHEMBL3753839

SCHEMBL3753839

CCCCCCN1C(=O)c2ccccc2C1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KCNA5 P22460 5/20 0.45
KCNH2 Q12809 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP2D6 P10635 1/20 0.44
KCNK3 O14649 1/20 0.42
LMNA P02545 1/20 0.42
P2RX7 Q99572 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3755669 0.82 GAA (0.62) GAATSHRALDH1A1KCNA5KCNH2
SCHEMBL3745698 0.82 GAA (0.62) GAATSHRALDH1A1KCNA5KCNH2
SCHEMBL3761019 0.82 GAA (0.62) GAATSHRALDH1A1KCNA5KCNH2
SCHEMBL4363815 0.81 KCNA5 (0.58) ALDH1A1KCNA5KCNH2
SCHEMBL3928724 0.78 KCNA5 (0.55) KCNA5KCNH2
SCHEMBL4371240 0.78 KCNA5 (0.70) KCNA5KCNH2
SCHEMBL3752084 0.78 GAA (0.58) GAATSHRALDH1A1KCNA5KCNH2
SCHEMBL3750215 0.77 GAA (0.90) GAATSHRALDH1A1CYP3A4CYP2C9
SCHEMBL3755348 0.77 GAA (0.68) GAATSHRALDH1A1KCNA5KCNH2
SCHEMBL3936466 0.77 SCN9A (0.60) SCN5ASCN9AALDH1A1KCNA5KCNH2

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-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
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 GAA 3997/4885SCN5A 48/4885SCN9A 119/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 GAA 4674/4885SCN5A 26/4885SCN9A 177/4885

“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.