SCHEMBL3757498

SCHEMBL3757498

O=C(NCc1ccccc1)C1c2ccccc2C(=O)N1C(c1ccccc1)c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.66
SCN9A Q15858 14/20 0.52
SCN5A Q14524 10/20 0.52
KCNH2 Q12809 10/20 0.52
TDP1 Q9NUW8 1/20 0.46
KCNQ2 O43526 1/20 0.46
SCN2A Q99250 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FPR1 P21462 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL3751907 0.93 KCNA5 (0.58) KCNA5SCN9ASCN5AKCNH2KCNQ2
SCHEMBL3756971 0.85 KCNA5 (0.51) KCNA5SCN9ASCN5AKCNH2SMN1; SMN2
SCHEMBL3744491 0.81 KCNA5 (0.68) KCNA5SCN9ASCN5AKCNH2
SCHEMBL3755450 0.80 KCNA5 (0.61) KCNA5SCN9ASCN5AKCNH2TDP1
SCHEMBL3755943 0.80 KCNA5 (1.00) KCNA5SCN9ASCN5AKCNH2TDP1
SCHEMBL3749111 0.79 KCNA5 (0.60) KCNA5SCN9ASCN5AKCNH2TDP1
SCHEMBL3748884 0.79 KCNA5 (0.67) KCNA5SCN9ASCN5AKCNH2TDP1
SCHEMBL3748720 0.78 KCNA5 (0.72) KCNA5SCN9ASCN5AKCNH2TDP1
SCHEMBL3748716 0.78 KCNA5 (0.72) KCNA5SCN9ASCN5AKCNH2TDP1
SCHEMBL3750217 0.78 KCNA5 (0.76) KCNA5SCN9ASCN5AKCNH2TDP1

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 119/4885SCN5A 48/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885SCN9A 177/4885SCN5A 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.