SCHEMBL3745820

SCHEMBL3745820

CCCN1C(=O)c2ccccc2C1(C)C(=O)NC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 14/20 0.51
TP53 P04637 9/20 0.51
KCNH2 Q12809 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR2 P34972 1/20 0.38

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
SCHEMBL3756756 0.87 MDM2 (0.53) MDM2TP53KCNH2SCN5ASCN9A
SCHEMBL3756028 0.85 ALDH1A1 (0.59) MDM2TP53ALDH1A1
SCHEMBL3751797 0.81 KCNA5 (0.51) MDM2TP53KCNH2ALDH1A1
SCHEMBL3761015 0.78 MDM2 (0.43) MDM2TP53KCNH2CYP2D6
SCHEMBL14398494 0.76 MDM2 (0.42) MDM2TP53KCNH2SCN5ASCN9A
SCHEMBL30056810 0.74 MDM2 (0.57) MDM2TP53ALDH1A1L3MBTL1MEN1
SCHEMBL14398486 0.73 ALDH1A1 (0.40) MDM2TP53KCNH2SCN5ASCN9A
SCHEMBL3753252 0.73 ALDH1A1 (0.63) MDM2TP53KCNH2SCN5ASCN9A
SCHEMBL14398172 0.72 MDM2 (0.37) MDM2TP53KCNH2SCN5ASCN9A
SCHEMBL3760084 0.72 ASAH1 (0.47) MDM2TP53KCNH2SCN5ASCN9A

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 6 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
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 MDM2 3686/4885TP53 3912/4885KCNH2 2/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 MDM2 3351/4885TP53 3602/4885KCNH2 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.