SCHEMBL3758062

SCHEMBL3758062

CC(C)CCN1C(=O)c2ccccc2C1C(=O)NCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.79
KCNA5 P22460 2/20 0.64
KMT2A Q03164 1/20 0.63
SCN9A Q15858 14/20 0.56
SCN5A Q14524 10/20 0.56
KCNH2 Q12809 9/20 0.55
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL3942624 0.90 KCNA5 (0.67) TDP1KCNA5KMT2ASCN9ASCN5A
SCHEMBL3751057 0.86 SCN9A (0.66) TDP1KCNA5SCN9ASCN5AKCNH2
SCHEMBL3950604 0.84 SCN9A (0.59) TDP1KCNA5SCN9ASCN5AKCNH2
SCHEMBL3748598 0.83 TDP1 (0.62) TDP1KCNA5KMT2ASCN9ASCN5A
SCHEMBL3750327 0.83 KMT2A (0.65) TDP1KCNA5KMT2ASCN9ASCN5A
SCHEMBL3946131 0.83 KCNA5 (0.69) TDP1KCNA5SCN9ASCN5AKCNH2
SCHEMBL3748526 0.83 KCNA5 (0.67) TDP1KCNA5SCN9ASCN5AKCNH2
SCHEMBL3750363 0.81 KCNA5 (0.60) TDP1KCNA5SCN9ASCN5AKCNH2
SCHEMBL3745776 0.81 KCNA5 (0.62) TDP1KCNA5KMT2AKCNH2ALDH1A1
SCHEMBL3757961 0.81 KCNA5 (0.61) TDP1KCNA5SCN9ASCN5AKCNH2

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
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
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 TDP1 2095/4885KCNA5 69/4885KMT2A 3483/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TDP1 1271/4885KCNA5 72/4885KMT2A 3979/4885

“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.