SCHEMBL3750754

SCHEMBL3750754

O=C(NC1CCCCC1)C1c2ccccc2C(=O)N1Cc1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 1.00
MCHR1 Q99705 1/20 1.00
ALDH1A1 P00352 3/20 0.81
LMNA P02545 1/20 0.70
TP53 P04637 1/20 0.70
TSHR P16473 4/20 0.68
MAPT P10636 2/20 0.68
THRB P10828 1/20 0.64
GAA P10253 1/20 0.61
F2 P00734 1/20 0.61

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
SCHEMBL3756564 0.84 TP53 (0.77) NPSR1MCHR1ALDH1A1TP53TSHR
SCHEMBL3760098 0.82 LMNA (1.00) NPSR1MCHR1ALDH1A1LMNATP53
SCHEMBL3747881 0.81 TSHR (1.00) NPSR1MCHR1ALDH1A1TP53TSHR
SCHEMBL3753648 0.81 TP53 (0.76) NPSR1MCHR1ALDH1A1TP53TSHR
SCHEMBL3748963 0.80 GAA (0.76) NPSR1MCHR1ALDH1A1TP53TSHR
SCHEMBL3749256 0.79 GAA (0.83) NPSR1MCHR1ALDH1A1LMNATP53
SCHEMBL3747913 0.79 GAA (0.85) NPSR1MCHR1ALDH1A1TP53TSHR
SCHEMBL3752503 0.79 ALDH1A1 (0.81) NPSR1MCHR1ALDH1A1LMNAMAPT
SCHEMBL3758249 0.78 GAA (0.78) NPSR1MCHR1ALDH1A1TP53TSHR
SCHEMBL3942742 0.78 GAA (0.78) NPSR1MCHR1ALDH1A1TP53TSHR

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