SCHEMBL3751958

SCHEMBL3751958

COc1ccc([C@@H](C)N2C(=O)c3ccccc3C2C(=O)NCc2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.82
SCN9A Q15858 9/20 0.55
KCNH2 Q12809 5/20 0.55
SCN5A Q14524 5/20 0.52
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
NR3C2 P08235 1/20 0.46
NPC1 O15118 1/20 0.44

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
SCHEMBL3755943 0.91 KCNA5 (1.00) KCNA5SCN9AKCNH2SCN5ASMN1; SMN2
SCHEMBL3745343 0.89 KCNA5 (0.78) KCNA5SCN9AKCNH2SCN5AALDH1A1
SCHEMBL3750669 0.88 KCNA5 (0.86) KCNA5SCN9AKCNH2SCN5ATDP1
SCHEMBL3750611 0.87 KCNA5 (0.62) KCNA5SCN9AKCNH2SCN5AALDH1A1
SCHEMBL3763206 0.86 KCNA5 (0.79) KCNA5SCN9AKCNH2SCN5ASMN1; SMN2
SCHEMBL3744033 0.85 KCNA5 (0.80) KCNA5SCN9AKCNH2SCN5ATDP1
SCHEMBL3750619 0.82 KCNA5 (0.75) KCNA5SCN9AKCNH2SCN5AALDH1A1
SCHEMBL3747907 0.81 KCNA5 (0.81) KCNA5SCN9AKCNH2SCN5ATDP1
SCHEMBL3752643 0.81 KCNA5 (0.81) KCNA5SCN9AKCNH2SCN5ATDP1
SCHEMBL3750902 0.80 KCNA5 (0.73) KCNA5SCN9AKCNH2SCN5ATDP1

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-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
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
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 KCNA5 69/4885SCN9A 119/4885KCNH2 2/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885SCN9A 177/4885KCNH2 2/4885

“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.