SCHEMBL3745751

SCHEMBL3745751

COc1ccc(CCN2C(=O)c3cccc(O)c3C2C(=O)NC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.57
KCNA5 P22460 3/20 0.57
SCN9A Q15858 6/20 0.51
MAPT P10636 8/20 0.47
TP53 P04637 5/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
SCN5A Q14524 4/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
XBP1 P17861 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL3755948 0.82 KCNA5 (0.55) KCNH2KCNA5SCN9AMAPTPOLB
SCHEMBL3756742 0.79 KCNA5 (0.68) KCNH2KCNA5
SCHEMBL3748973 0.78 KCNA5 (0.57) KCNH2KCNA5SCN9ATP53SMN1; SMN2
SCHEMBL3755040 0.76 KCNH2 (0.58) KCNH2KCNA5SCN9ASCN5A
SCHEMBL3763242 0.73 KCNA5 (1.00) KCNH2KCNA5
SCHEMBL3751859 0.72 KCNA5 (0.67) KCNH2KCNA5SCN9ASCN5A
SCHEMBL3762841 0.72 KCNA5 (0.58) KCNH2KCNA5SCN9ATP53SCN5A
SCHEMBL3755957 0.71 SCN9A (0.61) KCNH2KCNA5SCN9ASCN5A
SCHEMBL3943527 0.71 KCNA5 (0.56) KCNH2KCNA5SCN9ASCN5AKMT2A
SCHEMBL3750606 0.69 ALDH1A1 (0.60) KCNH2SCN9ATP53POLBSMN1; SMN2

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 KCNH2 2/4885KCNA5 69/4885SCN9A 119/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNH2 2/4885KCNA5 72/4885SCN9A 177/4885

“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.