SCHEMBL3751813

SCHEMBL3751813

C=CCN1C(=O)c2ccccc2C1(C)C(=O)NCCCCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
ASAH1 Q13510 1/20 0.37
ALPL P05186 1/20 0.36
GAA P10253 1/20 0.36
ALPG P10696 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35

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
SCHEMBL3760084 0.84 ASAH1 (0.47) ALDH1A1KCNH2SCN5ASCN9AASAH1
SCHEMBL3753545 0.65 KCNA5 (0.56) KMT2AKCNH2
SCHEMBL3756756 0.65 MDM2 (0.53) KMT2AALDH1A1KCNH2SCN5ASCN9A
SCHEMBL6790001 0.65 LMNA (0.59) KMT2AALDH1A1HDAC6HDAC3HDAC4
SCHEMBL3753252 0.65 ALDH1A1 (0.63) ALDH1A1KCNH2SCN5ASCN9A
SCHEMBL2747408 0.64 HDAC1 (0.75) KMT2AALDH1A1CDC25ACDC25BMAPK1
SCHEMBL2748740 0.64 HDAC1 (0.75) KMT2AALDH1A1CDC25ACDC25BMAPK1
SCHEMBL3441080 0.63 CDC25A (0.51) KMT2AALDH1A1CDC25ACDC25BMAPK1
SCHEMBL3756028 0.62 ALDH1A1 (0.59) ALDH1A1
SCHEMBL2748089 0.62 HDAC1 (0.72) KMT2AALDH1A1CDC25ACDC25BMAPK1

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 KMT2A 3483/4885ALDH1A1 315/4885CDC25A 836/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KMT2A 3979/4885ALDH1A1 310/4885CDC25A 1443/4885

“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.