SCHEMBL3756332

SCHEMBL3756332

CC(C)(C)NC(=O)C1c2ccccc2C(=O)N1C1CCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.47
KCNH2 Q12809 5/20 0.47
TSHR P16473 2/20 0.47
XIAP P98170 2/20 0.43
BIRC3 Q13489 2/20 0.43
BIRC2 Q13490 2/20 0.43
SCN5A Q14524 2/20 0.40
SCN9A Q15858 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPK14 Q16539 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4370911 0.82 USP2 (0.48) TSHRXIAPBIRC3BIRC2HTT
SCHEMBL3751603 0.81 TSHR (0.67) KCNA5KCNH2TSHRSCN5ASCN9A
SCHEMBL3757652 0.77 SCN9A (0.48) KCNA5KCNH2TSHRSCN5ASCN9A
SCHEMBL4006804 0.75 MEN1 (0.46) TSHRHTTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL5556295 0.74 XIAP (0.38) XIAPBIRC3BIRC2MAPK1MAPK14
SCHEMBL5562682 0.73 XIAP (0.40) TSHRXIAPBIRC3BIRC2
SCHEMBL5556444 0.72 MEN1 (0.43) KCNA5KCNH2XIAPBIRC3BIRC2
SCHEMBL3750564 0.71 KCNA5 (0.60) KCNA5KCNH2TSHR
SCHEMBL14397871 0.71 TSHR (0.53) KCNA5KCNH2TSHRSCN5ASCN9A
SCHEMBL3756765 0.71 KCNA5 (0.69) KCNA5KCNH2

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 2/4885TSHR 1287/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885KCNH2 2/4885TSHR 1483/4885

“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.