SCHEMBL3755904

SCHEMBL3755904

O=C(NCc1ccccc1Cl)C1c2ccccc2C(=O)N1Cc1ccccc1-c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.67
MAPK1 P28482 1/20 0.57
TP53 P04637 1/20 0.56
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.55
KCNH2 Q12809 3/20 0.54
P2RX7 Q99572 3/20 0.54
TDP1 Q9NUW8 1/20 0.53
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
FPR1 P21462 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL3758883 0.90 KCNA5 (0.71) KCNA5TP53ALDH1A1KCNH2P2RX7
SCHEMBL3752929 0.89 KCNA5 (0.82) KCNA5ALDH1A1POLBKCNH2TDP1
SCHEMBL3754243 0.86 KCNA5 (0.80) KCNA5ALDH1A1POLBKCNH2TDP1
SCHEMBL3752282 0.85 KCNA5 (0.73) KCNA5ALDH1A1POLBKCNH2TDP1
SCHEMBL3755625 0.85 KCNA5 (0.62) KCNA5ALDH1A1POLBKCNH2P2RX7
SCHEMBL3753827 0.81 KCNA5 (0.66) KCNA5ALDH1A1POLBKCNH2P2RX7
SCHEMBL3755966 0.81 KCNA5 (1.00) KCNA5ALDH1A1POLBKCNH2TDP1
SCHEMBL3758064 0.80 KCNA5 (0.61) KCNA5TP53ALDH1A1POLBKCNH2
SCHEMBL3762599 0.79 ALDH1A1 (0.66) KCNA5ALDH1A1POLBKCNH2P2RX7
SCHEMBL3751985 0.79 KCNA5 (0.86) KCNA5ALDH1A1POLBKCNH2LMNA

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 69/4885MAPK1 2421/4885TP53 3912/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885MAPK1 2262/4885TP53 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.