SCHEMBL3751636

SCHEMBL3751636

COc1ccc(CCNC(=O)C2c3ccccc3C(=O)N2CC(C)c2ccc(Cl)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.73
KCNH2 Q12809 1/20 0.70
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 2/20 0.56
TP53 P04637 2/20 0.54
SCN9A Q15858 1/20 0.51
MDM2 Q00987 1/20 0.49
POLB P06746 1/20 0.45
CNR1 P21554 1/20 0.44
FPR2 P25090 1/20 0.44
P2RX7 Q99572 1/20 0.44

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
SCHEMBL3749069 0.91 KCNA5 (0.80) KCNA5KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL3751827 0.90 KCNA5 (0.70) KCNA5KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL3758909 0.88 KCNA5 (0.75) KCNA5KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL3752701 0.86 KCNA5 (0.82) KCNA5KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL3756000 0.85 KCNA5 (0.67) KCNA5KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL3756393 0.85 KCNA5 (0.82) KCNA5KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL3758356 0.84 KCNA5 (1.00) KCNA5KCNH2ALDH1A1KMT2ATP53
SCHEMBL3750108 0.83 KCNA5 (0.67) KCNA5KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL3755834 0.83 KCNA5 (0.75) KCNA5KCNH2KMT2ATP53SCN9A
SCHEMBL3750572 0.83 KCNA5 (1.00) KCNA5KCNH2ALDH1A1SMN1; SMN2KMT2A

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 2/4885ALDH1A1 315/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885KCNH2 2/4885ALDH1A1 310/4885

“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.