SCHEMBL3751124

SCHEMBL3751124

CCCCNC(=O)C1c2ccccc2C(=O)N1CCCn1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.54
KCNH2 Q12809 1/20 0.54
GAA P10253 2/20 0.52
TDP1 Q9NUW8 1/20 0.47
IDE P14735 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
TP53 P04637 2/20 0.46
MDM2 Q00987 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.45
MDM4 O15151 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
SCHEMBL3753009 0.90 ALDH1A1 (0.52) GAATDP1ALDH1A1HPGDTP53
SCHEMBL3758556 0.88 ALDH1A1 (0.55) KCNA5KCNH2TDP1ALDH1A1HPGD
SCHEMBL3755348 0.85 GAA (0.68) KCNA5KCNH2GAATDP1ALDH1A1
SCHEMBL3760753 0.83 KCNA5 (0.63) KCNA5KCNH2GAATDP1ALDH1A1
SCHEMBL3745698 0.81 GAA (0.62) KCNA5KCNH2GAATDP1ALDH1A1
SCHEMBL3755669 0.81 GAA (0.62) KCNA5KCNH2GAATDP1ALDH1A1
SCHEMBL3761019 0.81 GAA (0.62) KCNA5KCNH2GAATDP1ALDH1A1
SCHEMBL3748255 0.80 KCNA5 (0.72) KCNA5KCNH2ALDH1A1HPGDDUSP3
SCHEMBL3754140 0.79 KCNA5 (0.58) KCNA5KCNH2GAATDP1ALDH1A1
SCHEMBL3752084 0.78 GAA (0.58) KCNA5KCNH2GAATDP1ALDH1A1

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 2/4885GAA 3997/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885KCNH2 2/4885GAA 4674/4885

“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.