SCHEMBL3751797

SCHEMBL3751797

CC(C)(C)NC(=O)C1(C)c2ccccc2C(=O)N1Cc1ccccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 18/20 0.51
KCNH2 Q12809 10/20 0.51
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL3756028 0.86 ALDH1A1 (0.59) ALDH1A1TP53MDM2
SCHEMBL3756729 0.82 ALDH1A1 (0.40) KCNA5KCNH2ALDH1A1TP53MDM2
SCHEMBL3753798 0.81 KCNA5 (0.46) KCNA5KCNH2
SCHEMBL3745820 0.81 MDM2 (0.51) KCNH2ALDH1A1TP53MDM2
SCHEMBL3750443 0.78 KCNH2 (0.44) KCNA5KCNH2ALDH1A1MDM2
SCHEMBL3753252 0.72 ALDH1A1 (0.63) KCNH2ALDH1A1TP53MDM2
SCHEMBL3761015 0.72 MDM2 (0.43) KCNA5KCNH2TP53MDM2
SCHEMBL14398494 0.69 MDM2 (0.42) KCNH2ALDH1A1TP53MDM2
SCHEMBL3756756 0.68 MDM2 (0.53) KCNH2ALDH1A1TP53MDM2
SCHEMBL3749157 0.67 KCNA5 (1.00) KCNA5KCNH2

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 4 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
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
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 KCNA5 69/4885KCNH2 2/4885ALDH1A1 315/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885KCNH2 2/4885ALDH1A1 310/4885

“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.