SCHEMBL3760098

SCHEMBL3760098

CC1CCCC(NC(=O)C2c3ccccc3C(=O)N2Cc2cccs2)C1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
ALDH1A1 P00352 3/20 0.70
NPSR1 Q6W5P4 2/20 0.70
MCHR1 Q99705 1/20 0.70
RECQL P46063 1/20 0.65
TP53 P04637 1/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL3750754 0.82 NPSR1 (1.00) LMNAALDH1A1NPSR1MCHR1TP53
SCHEMBL3746135 0.74 ALDH1A1 (0.65) LMNAALDH1A1NPSR1MCHR1TP53
SCHEMBL3752503 0.74 ALDH1A1 (0.81) LMNAALDH1A1NPSR1MCHR1MAPT
SCHEMBL3749031 0.70 ALDH1A1 (0.62) LMNAALDH1A1NPSR1MCHR1TP53
SCHEMBL28782889 0.69 ALDH1A1 (0.58) LMNAALDH1A1NPSR1MCHR1MAPT
SCHEMBL1618368 0.69 ALDH1A1 (1.00) LMNAALDH1A1NPSR1MCHR1TSHR
SCHEMBL3756564 0.66 TP53 (0.77) ALDH1A1NPSR1MCHR1TP53TSHR
SCHEMBL3745806 0.66 TP53 (0.81) LMNAALDH1A1NPSR1MCHR1TP53
SCHEMBL3750819 0.66 TP53 (0.60) ALDH1A1NPSR1MCHR1TP53TSHR
SCHEMBL1619276 0.66 ALDH1A1 (0.58) LMNAALDH1A1NPSR1MCHR1MAPT

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 LMNA 228/4885ALDH1A1 315/4885NPSR1 806/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 LMNA 461/4885ALDH1A1 310/4885NPSR1 1016/4885

“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.