SCHEMBL3755256

SCHEMBL3755256

O=C(NCCc1c[nH]c2ccccc12)C1c2ccccc2C(=O)N1CCc1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
CDK4 P11802 2/20 0.52
CCND1 P24385 2/20 0.52
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN9A Q15858 1/20 0.47
MC4R P32245 1/20 0.47
KMT2A Q03164 1/20 0.46
SNCA P37840 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MTNR1A P48039 2/20 0.46

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
SCHEMBL3754052 0.91 SIRT1 (0.52) POLBCDK4CCND1BCHEACHE
SCHEMBL3754846 0.85 CDK4 (0.52) CDK4CCND1BCHEACHENPC1
SCHEMBL3754732 0.85 NPC1 (0.54) POLBMAPTTSHRNPC1RAB9A
SCHEMBL3752731 0.84 ALDH1A1 (0.53) POLBCDK4CCND1MAPTNPC1
SCHEMBL3750239 0.83 SCN9A (0.51) BCHEACHEKCNH2SCN9AMC4R
SCHEMBL3745544 0.82 MTNR1A (0.49) CDK4CCND1TSHRMC4RKMT2A
SCHEMBL3759964 0.81 OPRM1 (0.47) ACHEMAPTTSHRNPC1RAB9A
SCHEMBL3755556 0.81 KCNA5 (0.61) MAPTTSHRKCNH2SCN9AKMT2A
SCHEMBL3750207 0.80 SCN9A (0.49) KCNH2SCN9A
SCHEMBL3754277 0.80 MEN1 (0.51) CDK4CCND1TSHRNPC1RAB9A

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 POLB 2841/4885CDK4 1344/4885CCND1 381/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 POLB 3428/4885CDK4 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.