SCHEMBL3751140

SCHEMBL3751140

CCN(Cc1ccccc1)C(=O)C1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.44
KCNA5 P22460 4/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RX7 Q99572 1/20 0.41
KCNH2 Q12809 2/20 0.40
TP53 P04637 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
FFAR1 O14842 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3762651 0.93 MDM2 (0.46) MDM2KCNA5GAAP2RX7KCNH2
SCHEMBL3754163 0.91 KCNA5 (0.44) MDM2KCNA5ALDH1A1GAAHTT
SCHEMBL3750322 0.88 MDM2 (0.40) MDM2KCNA5ALDH1A1GAAHTT
SCHEMBL3745658 0.88 PRMT5 (0.47) MDM2KCNA5ALDH1A1GAAHTT
SCHEMBL3758475 0.84 MDM2 (0.46) MDM2KCNA5ALDH1A1GAAHTT
SCHEMBL3756012 0.82 SCN9A (0.51) MDM2KCNA5KCNH2TP53SCN5A
SCHEMBL3750835 0.81 MDM2 (0.57) MDM2KCNA5ALDH1A1GAAHTT
SCHEMBL3748832 0.80 KCNA5 (0.46) MDM2KCNA5ALDH1A1GAAP2RX7
SCHEMBL3753672 0.78 MDM2 (0.48) MDM2KCNA5ALDH1A1NPSR1P2RX7
SCHEMBL3753733 0.77 ALDH1A1 (0.62) MDM2KCNA5ALDH1A1P2RX7KCNH2

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 MDM2 3686/4885KCNA5 69/4885ALDH1A1 315/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 MDM2 3351/4885KCNA5 72/4885ALDH1A1 310/4885

“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.