SCHEMBL3750443

SCHEMBL3750443

CC1(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c2ccccc2C(=O)N1Cc1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
KCNA5 P22460 2/20 0.40
ALDH1A1 P00352 1/20 0.39
PPARG P37231 1/20 0.39
DRD2 P14416 1/20 0.39
MAPK8 P45983 1/20 0.39
PTGS2 P35354 3/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PTGS1 P23219 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
NAMPT P43490 1/20 0.38
RORC P51449 2/20 0.37
EPHX2 P34913 1/20 0.36
KMT2A Q03164 1/20 0.36
MDM2 Q00987 1/20 0.36

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
SCHEMBL3751797 0.78 KCNA5 (0.51) KCNH2KCNA5ALDH1A1MDM2
SCHEMBL3753252 0.69 ALDH1A1 (0.63) KCNH2SCN5ASCN9AALDH1A1MDM2
SCHEMBL3755613 0.68 KCNA5 (0.64) KCNH2SCN5ASCN9AKCNA5ALDH1A1
SCHEMBL3757969 0.67 KCNA5 (0.64) KCNH2SCN5ASCN9AKCNA5
SCHEMBL3756028 0.67 ALDH1A1 (0.59) ALDH1A1MDM2
SCHEMBL3751864 0.66 KCNA5 (0.61) KCNH2SCN5ASCN9AKCNA5ALDH1A1
SCHEMBL5723494 0.65 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL3750384 0.63 KCNA5 (0.56) KCNH2SCN5ASCN9AKCNA5ALDH1A1
SCHEMBL4899305 0.63 EPHX2 (0.59) ALDH1A1NAMPTEPHX2KMT2A
SCHEMBL933464 0.63 ALDH1A1 (0.72) ALDH1A1RORCEPHX2

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 KCNH2 2/4885SCN5A 48/4885SCN9A 119/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNH2 2/4885SCN5A 26/4885SCN9A 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.