SCHEMBL3758287

SCHEMBL3758287

O=C(NCc1ccccc1)C1c2ccccc2C(=O)N1C(CN1CCCC1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.46
FPR1 P21462 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SCN9A Q15858 6/20 0.45
KCNH2 Q12809 3/20 0.45
SCN5A Q14524 4/20 0.43
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRK1 P41145 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CYP2D6 P10635 1/20 0.41
BRS3 P32247 1/20 0.40

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
SCHEMBL3750217 0.84 KCNA5 (0.76) KCNA5SMN1; SMN2FPR1CYP1A2CYP3A4
SCHEMBL3755943 0.80 KCNA5 (1.00) KCNA5SMN1; SMN2FPR1CYP1A2CYP3A4
SCHEMBL3748716 0.78 KCNA5 (0.72) KCNA5SMN1; SMN2FPR1CYP1A2CYP3A4
SCHEMBL3748720 0.78 KCNA5 (0.72) KCNA5SMN1; SMN2FPR1CYP1A2CYP3A4
SCHEMBL3754111 0.77 KCNA5 (0.64) KCNA5SCN9AKCNH2SCN5ATDP1
SCHEMBL3744491 0.75 KCNA5 (0.68) KCNA5SCN9AKCNH2SCN5A
SCHEMBL3757498 0.74 KCNA5 (0.66) KCNA5SMN1; SMN2FPR1CYP1A2CYP3A4
SCHEMBL3946131 0.74 KCNA5 (0.69) KCNA5SCN9AKCNH2SCN5ATDP1
SCHEMBL3751695 0.74 KCNA5 (0.72) KCNA5SMN1; SMN2SCN9AKCNH2SCN5A
SCHEMBL3750669 0.73 KCNA5 (0.86) KCNA5SCN9AKCNH2SCN5ATDP1

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 69/4885SMN1; SMN2 2575/4885FPR1 3233/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885SMN1; SMN2 3040/4885FPR1 3777/4885

“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.