SCHEMBL3754329

SCHEMBL3754329

CC(CN1C(=O)c2ccc(Cl)cc2C1C(=O)NCc1cccnc1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
KCNA5 P22460 4/20 0.57
KCNH2 Q12809 2/20 0.56
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
FPR1 P21462 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
P2RX7 Q99572 1/20 0.44
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL3750777 0.92 TDP1 (0.69) TDP1KCNA5KCNH2ALDH1A1POLB
SCHEMBL3751102 0.89 KCNA5 (0.58) TDP1KCNA5KCNH2ALDH1A1SMN1; SMN2
SCHEMBL3751697 0.89 KCNA5 (0.66) TDP1KCNA5KCNH2SCN5ASCN9A
SCHEMBL3756977 0.83 KCNA5 (0.53) TDP1KCNA5KCNH2SCN5ASCN9A
SCHEMBL3758480 0.82 KCNA5 (0.72) TDP1KCNA5KCNH2ALDH1A1SCN5A
SCHEMBL3750500 0.82 KCNA5 (0.56) TDP1KCNA5KCNH2SMN1; SMN2P2RX7
SCHEMBL3750555 0.82 KCNA5 (0.56) TDP1KCNA5KCNH2P2RX7CYP11B1
SCHEMBL3756665 0.82 KCNA5 (0.77) TDP1KCNA5KCNH2ALDH1A1SCN5A
SCHEMBL3762738 0.80 KCNA5 (0.62) KCNA5KCNH2P2RX7CYP11B1CYP11B2
SCHEMBL3753827 0.79 KCNA5 (0.66) TDP1KCNA5KCNH2ALDH1A1POLB

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 TDP1 2095/4885KCNA5 69/4885KCNH2 2/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TDP1 1271/4885KCNA5 72/4885KCNH2 2/4885

“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.