SCHEMBL3751649

SCHEMBL3751649

CC(C)(C)NC(=O)C1c2ccccc2C(=O)N1CCc1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 3/20 0.54
KCNA5 P22460 8/20 0.54
KCNH2 Q12809 3/20 0.54
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 4/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
GLA P06280 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
SCHEMBL3745786 0.84 GAA (0.56) GAACYP1A2POLBCYP3A4CYP2D6
SCHEMBL3753663 0.84 GAA (0.56) GAACYP1A2POLBCYP3A4CYP2D6
SCHEMBL3943527 0.83 KCNA5 (0.56) KCNA5KCNH2KMT2A
SCHEMBL3762913 0.81 GAA (0.57) GAACYP1A2POLBCYP3A4CYP2D6
SCHEMBL3762841 0.81 KCNA5 (0.58) KCNA5KCNH2
SCHEMBL3751859 0.81 KCNA5 (0.67) KCNA5KCNH2
SCHEMBL3755957 0.79 SCN9A (0.61) KCNA5KCNH2
SCHEMBL3747709 0.79 GAA (0.59) GAACYP1A2POLBCYP3A4CYP2D6
SCHEMBL3755040 0.79 KCNH2 (0.58) KCNA5KCNH2
SCHEMBL3748973 0.79 KCNA5 (0.57) KCNA5KCNH2ALDH1A1LMNAKMT2A

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 GAA 3997/4885CYP1A2 8/4885POLB 2841/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 GAA 4674/4885CYP1A2 27/4885POLB 3428/4885

“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.