SCHEMBL3758131

SCHEMBL3758131

CC(C)(C)CCN1C(=O)c2ccccc2C1C(=O)NCCc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.57
KMT2A Q03164 1/20 0.55
TP53 P04637 2/20 0.54
ALDH1A1 P00352 2/20 0.53
KCNH2 Q12809 3/20 0.53
SCN9A Q15858 4/20 0.51
SCN5A Q14524 3/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MDM2 Q00987 1/20 0.50
P2RX7 Q99572 2/20 0.49

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
SCHEMBL3756043 0.90 KCNA5 (0.64) KCNA5KMT2ATP53ALDH1A1KCNH2
SCHEMBL3752652 0.89 KMT2A (0.57) KCNA5KMT2ATP53ALDH1A1KCNH2
SCHEMBL3750100 0.89 KMT2A (0.55) KCNA5KMT2ATP53ALDH1A1KCNH2
SCHEMBL3753733 0.88 ALDH1A1 (0.62) KCNA5KMT2ATP53ALDH1A1KCNH2
SCHEMBL3756060 0.87 P2RX7 (0.63) KCNA5KMT2ATP53ALDH1A1KCNH2
SCHEMBL3744206 0.86 KCNA5 (0.50) KCNA5KMT2ATP53ALDH1A1KCNH2
SCHEMBL3756390 0.86 KCNA5 (0.50) KCNA5KMT2ATP53ALDH1A1KCNH2
SCHEMBL3756000 0.84 KCNA5 (0.67) KCNA5KMT2ATP53ALDH1A1KCNH2
SCHEMBL3760736 0.83 MAPT (0.55) KCNA5KMT2ATP53ALDH1A1KCNH2
SCHEMBL3752465 0.83 KCNA5 (0.69) KCNA5KMT2ATP53ALDH1A1KCNH2

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 69/4885KMT2A 3483/4885TP53 3912/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885KMT2A 3979/4885TP53 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.