SCHEMBL3756814

SCHEMBL3756814

C[C@H](c1ccccc1)N1C(=O)c2ccc(C#N)cc2C1C(=O)NCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.74
KCNH2 Q12809 3/20 0.48
SCN9A Q15858 3/20 0.48
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
NR3C2 P08235 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SCN5A Q14524 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL3752052 0.92 KCNA5 (0.74) KCNA5KCNH2SCN9ASLC1A3SLC1A2
SCHEMBL3949423 0.88 KCNA5 (0.57) KCNA5KCNH2SCN9APRMT5WDR77
SCHEMBL3755840 0.86 KCNA5 (0.77) KCNA5KCNH2SCN9AALDH1A1TSHR
SCHEMBL3754228 0.86 KCNA5 (0.77) KCNA5KCNH2SCN9ANR3C2ALDH1A1
SCHEMBL3745315 0.86 KCNA5 (0.77) KCNA5KCNH2SCN9ANR3C2ALDH1A1
SCHEMBL3754015 0.86 KCNA5 (0.77) KCNA5KCNH2SCN9APRMT5WDR77
SCHEMBL3755943 0.85 KCNA5 (1.00) KCNA5KCNH2SCN9ATSHRHTT
SCHEMBL3745627 0.80 KCNA5 (0.77) KCNA5KCNH2SCN9AALDH1A1TSHR
SCHEMBL3750669 0.79 KCNA5 (0.86) KCNA5KCNH2SCN9APRMT5WDR77
SCHEMBL3752643 0.78 KCNA5 (0.81) KCNA5KCNH2SCN9APRMT5WDR77

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 6 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
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.