SCHEMBL3752503

SCHEMBL3752503

O=C(NCc1ccccc1)C1c2ccccc2C(=O)N1Cc1cccs1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.81
NPSR1 Q6W5P4 1/20 0.65
MCHR1 Q99705 1/20 0.65
KCNA5 P22460 2/20 0.64
LMNA P02545 2/20 0.59
PRMT5 O14744 3/20 0.54
WDR77 Q9BQA1 3/20 0.54
MAPT P10636 1/20 0.51
SCN5A Q14524 2/20 0.50
SCN9A Q15858 2/20 0.50
KCNH2 Q12809 1/20 0.50
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 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
SCHEMBL3751135 0.89 ALDH1A1 (0.68) ALDH1A1NPSR1MCHR1KCNA5SCN5A
SCHEMBL3748526 0.86 KCNA5 (0.67) ALDH1A1KCNA5PRMT5WDR77SCN5A
SCHEMBL3751985 0.82 KCNA5 (0.86) ALDH1A1KCNA5LMNAPRMT5WDR77
SCHEMBL3745253 0.81 KCNA5 (0.68) ALDH1A1KCNA5LMNAPRMT5WDR77
SCHEMBL3756521 0.81 KCNA5 (0.68) ALDH1A1KCNA5LMNAPRMT5WDR77
SCHEMBL3746135 0.81 ALDH1A1 (0.65) ALDH1A1NPSR1MCHR1KCNA5LMNA
SCHEMBL3949618 0.80 KCNA5 (0.60) ALDH1A1KCNA5PRMT5WDR77SCN5A
SCHEMBL3753489 0.80 SCN9A (0.67) ALDH1A1KCNA5PRMT5WDR77SCN5A
SCHEMBL3751057 0.79 SCN9A (0.66) ALDH1A1KCNA5SCN5ASCN9AKCNH2
SCHEMBL3750754 0.79 NPSR1 (1.00) ALDH1A1NPSR1MCHR1LMNAMAPT

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 ALDH1A1 315/4885NPSR1 806/4885MCHR1 1915/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ALDH1A1 310/4885NPSR1 1016/4885MCHR1 2500/4885

“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.