SCHEMBL3754052

SCHEMBL3754052

O=C(NCCc1c[nH]c2ccccc12)C1c2ccccc2C(=O)N1CCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.52
CDK4 P11802 2/20 0.52
CCND1 P24385 2/20 0.52
POLB P06746 2/20 0.49
KCNH2 Q12809 2/20 0.49
SCN5A Q14524 2/20 0.49
SCN9A Q15858 2/20 0.49
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MTNR1A P48039 2/20 0.48
PTGS2 P35354 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 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
SCHEMBL3754846 0.91 CDK4 (0.52) CDK4CCND1KCNH2SCN5ASCN9A
SCHEMBL3755256 0.91 POLB (0.61) CDK4CCND1POLBKCNH2SCN9A
SCHEMBL3750239 0.89 SCN9A (0.51) KCNH2SCN5ASCN9ABCHEACHE
SCHEMBL3759964 0.87 OPRM1 (0.47) SIRT1KCNH2SCN5ASCN9AACHE
SCHEMBL3754732 0.85 NPC1 (0.54) POLBALDH1A1MTNR1ANPC1RAB9A
SCHEMBL3752731 0.85 ALDH1A1 (0.53) CDK4CCND1POLBSCN9AALDH1A1
SCHEMBL3750207 0.84 SCN9A (0.49) KCNH2SCN5ASCN9A
SCHEMBL3745544 0.84 MTNR1A (0.49) CDK4CCND1ALDH1A1MTNR1A
SCHEMBL3745745 0.83 FAAH (0.48) CDK4CCND1BCHEACHEALDH1A1
SCHEMBL3753450 0.83 KMT2A (0.54) CDK4CCND1ALDH1A1MTNR1A

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 SIRT1 1109/4885CDK4 1344/4885CCND1 381/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 SIRT1 1249/4885CDK4 2109/4885CCND1 316/4885

“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.