SCHEMBL3748469

SCHEMBL3748469

CC(CN1C(=O)c2ccccc2C1C(=O)NC(C)c1cccnc1)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.64
KCNH2 Q12809 3/20 0.62
TDP1 Q9NUW8 1/20 0.49
SCN5A Q14524 2/20 0.46
SCN9A Q15858 2/20 0.46
ALDH1A1 P00352 3/20 0.42
P2RX7 Q99572 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3761054 0.90 KCNA5 (0.67) KCNA5KCNH2TDP1SCN5ASCN9A
SCHEMBL3750777 0.85 TDP1 (0.69) KCNA5KCNH2TDP1SCN5ASCN9A
SCHEMBL3756606 0.85 KCNA5 (0.76) KCNA5KCNH2SCN5ASCN9AALDH1A1
SCHEMBL3953867 0.85 TDP1 (0.56) KCNA5KCNH2TDP1SCN5ASCN9A
SCHEMBL3744483 0.82 KCNA5 (0.77) KCNA5KCNH2TDP1P2RX7TSHR
SCHEMBL3758480 0.80 KCNA5 (0.72) KCNA5KCNH2TDP1SCN5ASCN9A
SCHEMBL3753606 0.80 KCNA5 (0.85) KCNA5KCNH2TDP1ALDH1A1P2RX7
SCHEMBL3758397 0.79 KCNA5 (0.73) KCNA5KCNH2P2RX7
SCHEMBL13568404 0.79 SCN9A (0.62) KCNA5KCNH2TDP1SCN5ASCN9A
SCHEMBL3758909 0.79 KCNA5 (0.75) KCNA5KCNH2TDP1SCN5ASCN9A

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 2/4885TDP1 2095/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885KCNH2 2/4885TDP1 1271/4885

“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.