SCHEMBL3753615

SCHEMBL3753615

CC(C)(C)N1C(=O)c2c(ccc(O)c2-c2ccccc2)C1C(=O)NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.43
KCNH2 Q12809 3/20 0.42
SCN9A Q15858 3/20 0.40
SCN5A Q14524 2/20 0.40
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
MC4R P32245 1/20 0.37
RIPK1 Q13546 1/20 0.37
LMNA P02545 1/20 0.37
CCKBR P32239 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL3748596 0.89 KCNA5 (0.48) KCNA5KCNH2SCN9ASCN5AHPGD
SCHEMBL3752370 0.83 KCNA5 (0.49) KCNA5KCNH2SCN9ASCN5AHSP90AA1
SCHEMBL3757199 0.79 KCNA5 (0.49) KCNA5KCNH2SCN9ASCN5AHPGD
SCHEMBL3750216 0.72 KCNA5 (0.56) KCNA5KCNH2SCN9ASCN5A
SCHEMBL3758976 0.71 KCNA5 (0.75) KCNA5KCNH2
SCHEMBL3748777 0.70 KCNA5 (0.59) KCNA5KCNH2SCN9ASCN5ACYP3A4
SCHEMBL3753635 0.68 KCNA5 (0.84) KCNA5KCNH2
SCHEMBL3745854 0.68 KCNA5 (0.57) KCNA5KCNH2
SCHEMBL3751530 0.67 KCNA5 (0.46) KCNA5KCNH2SCN9ASCN5AALDH1A1
SCHEMBL3750363 0.66 KCNA5 (0.60) KCNA5KCNH2SCN9ASCN5AALDH1A1

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 69/4885KCNH2 2/4885SCN9A 119/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885KCNH2 2/4885SCN9A 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.