SCHEMBL3750310

SCHEMBL3750310

CC(CN1C(=O)c2ccc(F)cc2C1C(=O)NCCCCCC#N)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.61
KCNH2 Q12809 2/20 0.61
P2RX7 Q99572 3/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
SCN9A Q15858 1/20 0.34
SLC6A3 Q01959 2/20 0.33
KMT2A Q03164 1/20 0.33
MDM2 Q00987 1/20 0.32

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
SCHEMBL3758282 0.89 KCNA5 (0.77) KCNA5KCNH2P2RX7MDM2
SCHEMBL3751623 0.87 KCNA5 (0.76) KCNA5KCNH2P2RX7KMT2A
SCHEMBL3756479 0.86 KCNA5 (0.63) KCNA5KCNH2P2RX7SCN9AKMT2A
SCHEMBL3745608 0.85 KCNA5 (0.64) KCNA5KCNH2P2RX7MDM2
SCHEMBL3752622 0.83 KCNA5 (0.60) KCNA5KCNH2P2RX7MDM2
SCHEMBL3755825 0.81 KCNA5 (0.67) KCNA5KCNH2P2RX7PRMT5WDR77
SCHEMBL3758231 0.80 KCNA5 (0.66) KCNA5KCNH2P2RX7SCN9AKMT2A
SCHEMBL3750572 0.76 KCNA5 (1.00) KCNA5KCNH2P2RX7KMT2AMDM2
SCHEMBL3757977 0.75 KCNA5 (0.64) KCNA5KCNH2P2RX7PRMT5WDR77
SCHEMBL3762738 0.75 KCNA5 (0.62) KCNA5KCNH2P2RX7SLC6A3

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 2/4885P2RX7 1839/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885KCNH2 2/4885P2RX7 1138/4885

“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.