SCHEMBL3754098

SCHEMBL3754098

CCCC(CO)N1C(=O)c2ccccc2C1C(=O)NC(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
KCNA5 P22460 5/20 0.47
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNH2 Q12809 3/20 0.40
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN9A Q15858 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNA3 P22001 1/20 0.37

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
SCHEMBL3751187 0.85 KCNA5 (0.53) TSHRL3MBTL1HTTKCNA5GAA
SCHEMBL4030993 0.84 KCNA5 (0.51) TSHRL3MBTL1HTTKCNA5GAA
SCHEMBL3757051 0.80 KCNA5 (0.45) TSHRL3MBTL1HTTKCNA5ALDH1A1
SCHEMBL3748598 0.74 TDP1 (0.62) TSHRL3MBTL1HTTKCNA5GAA
SCHEMBL3949867 0.71 GAA (0.55) TSHRL3MBTL1HTTKCNA5GAA
SCHEMBL3756958 0.70 KCNA5 (0.72) TSHRKCNA5ALDH1A1NPSR1KCNH2
SCHEMBL3755271 0.70 TSHR (0.53) TSHRKCNA5GAAALDH1A1NPSR1
SCHEMBL3750904 0.69 KCNA5 (0.69) TSHRL3MBTL1HTTKCNA5GAA
SCHEMBL3754031 0.68 KCNA5 (0.60) TSHRL3MBTL1HTTKCNA5GAA
SCHEMBL3750152 0.67 KCNA5 (0.51) TSHRL3MBTL1HTTKCNA5ALDH1A1

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 TSHR 1287/4885L3MBTL1 1995/4885HTT 3361/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TSHR 1483/4885L3MBTL1 1605/4885HTT 3086/4885

“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.