SCHEMBL3754243

SCHEMBL3754243

O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1Cc1ccccc1-c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.80
ALDH1A1 P00352 2/20 0.69
POLB P06746 1/20 0.67
TDP1 Q9NUW8 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.60
KCNH2 Q12809 4/20 0.60
FPR1 P21462 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
SCN5A Q14524 1/20 0.56
SCN9A Q15858 1/20 0.56
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51

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
SCHEMBL3752929 0.95 KCNA5 (0.82) KCNA5ALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL3753827 0.90 KCNA5 (0.66) KCNA5ALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL3751985 0.90 KCNA5 (0.86) KCNA5ALDH1A1POLBSMN1; SMN2KCNH2
SCHEMBL3755966 0.89 KCNA5 (1.00) KCNA5ALDH1A1POLBTDP1KCNH2
SCHEMBL3752282 0.88 KCNA5 (0.73) KCNA5ALDH1A1POLBTDP1KCNH2
SCHEMBL3755904 0.86 KCNA5 (0.67) KCNA5ALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL3751253 0.83 KCNA5 (0.78) KCNA5ALDH1A1KCNH2SCN5ASCN9A
SCHEMBL3750851 0.83 KCNA5 (0.78) KCNA5ALDH1A1POLBKCNH2SCN5A
SCHEMBL3757767 0.83 KCNA5 (0.78) KCNA5KCNH2SCN5ASCN9APRMT5
SCHEMBL3751877 0.83 KCNA5 (0.68) KCNA5ALDH1A1KCNH2SCN5ASCN9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 69/4885ALDH1A1 315/4885POLB 2841/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885ALDH1A1 310/4885POLB 3428/4885

“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.