SCHEMBL3758239

SCHEMBL3758239

Cc1oc(-c2ccccc2)nc1CNC(=O)C1c2ccccc2C(=O)N1CC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.47
KCNH2 Q12809 2/20 0.46
TP53 P04637 1/20 0.46
SCN9A Q15858 2/20 0.45
PPARA Q07869 3/20 0.44
PPARG P37231 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PDE8B O95263 2/20 0.44
PDE8A O60658 1/20 0.44
LMNA P02545 1/20 0.43
P2RX7 Q99572 2/20 0.42
PPARD Q03181 1/20 0.42
SCN5A Q14524 1/20 0.42

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
SCHEMBL3745728 0.84 KCNA5 (0.59) KCNA5KCNH2PDE8BPDE8A
SCHEMBL3757760 0.81 KCNA5 (0.65) KCNA5KCNH2TP53LMNAP2RX7
SCHEMBL3750363 0.80 KCNA5 (0.60) KCNA5KCNH2SCN9AP2RX7SCN5A
SCHEMBL3745635 0.79 KCNA5 (0.51) KCNA5KCNH2TP53KDM4EPDE8B
SCHEMBL3750301 0.76 KCNA5 (0.47) KCNA5KCNH2SCN9AP2RX7SCN5A
SCHEMBL3760032 0.74 P2RX7 (0.56) KCNA5KCNH2SCN9AP2RX7SCN5A
SCHEMBL3750421 0.74 KCNA5 (0.55) KCNA5KCNH2SCN9AP2RX7SCN5A
SCHEMBL3751302 0.72 P2RX7 (0.57) KCNA5KCNH2SCN9AP2RX7SCN5A
SCHEMBL3758533 0.72 P2RX7 (0.55) KCNA5KCNH2SCN9AP2RX7SCN5A
SCHEMBL3747709 0.71 GAA (0.59) TP53SCN9ALMNAP2RX7SCN5A

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 2/4885TP53 3912/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885KCNH2 2/4885TP53 3602/4885

“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.