SCHEMBL3752084

SCHEMBL3752084

CCCCCCNC(=O)C1c2ccccc2C(=O)N1CCCCO

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
KCNA5 P22460 7/20 0.56
KCNH2 Q12809 2/20 0.56
ASAH1 Q13510 1/20 0.49
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.46
P2RX7 Q99572 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL3745698 0.96 GAA (0.62) GAAKCNA5KCNH2ASAH1TSHR
SCHEMBL3755669 0.96 GAA (0.62) GAAKCNA5KCNH2ASAH1TSHR
SCHEMBL3761019 0.96 GAA (0.62) GAAKCNA5KCNH2ASAH1TSHR
SCHEMBL3754140 0.93 KCNA5 (0.58) GAAKCNA5KCNH2ASAH1TSHR
SCHEMBL3760753 0.89 KCNA5 (0.63) GAAKCNA5KCNH2TSHRALDH1A1
SCHEMBL3755348 0.89 GAA (0.68) GAAKCNA5KCNH2TSHRALDH1A1
SCHEMBL3749308 0.81 KCNA5 (0.64) GAAKCNA5KCNH2TSHRALDH1A1
SCHEMBL3949867 0.81 GAA (0.55) GAAKCNA5KCNH2TSHRALDH1A1
SCHEMBL3939824 0.81 KCNA5 (0.64) GAAKCNA5KCNH2TSHRALDH1A1
SCHEMBL3755363 0.79 KCNA5 (0.65) GAAKCNA5KCNH2ALDH1A1KMT2A

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 3997/4885KCNA5 69/4885KCNH2 2/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 GAA 4674/4885KCNA5 72/4885KCNH2 2/4885

“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.