SCHEMBL3756806

SCHEMBL3756806

CCOc1ccc(CCN2C(=O)c3ccccc3C2C(=O)NCCc2ccccc2)cc1OCC

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
KMT2A Q03164 1/20 0.64
TP53 P04637 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 2/20 0.58
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 1/20 0.50
SCN9A Q15858 2/20 0.49
GAA P10253 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCN5A Q14524 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL3941925 0.89 KMT2A (0.80) ALDH1A1KMT2ATP53SMN1; SMN2LMNA
SCHEMBL16797450 0.87 TP53 (0.76) ALDH1A1KMT2ATP53SMN1; SMN2LMNA
SCHEMBL3942840 0.86 ALDH1A1 (0.69) ALDH1A1KMT2ATP53SMN1; SMN2LMNA
SCHEMBL3753733 0.82 ALDH1A1 (0.62) ALDH1A1KMT2ATP53SMN1; SMN2LMNA
SCHEMBL3758084 0.80 ALDH1A1 (0.67) ALDH1A1KMT2ATP53SMN1; SMN2LMNA
SCHEMBL3748769 0.78 KCNA5 (0.56) ALDH1A1KMT2ATP53SMN1; SMN2LMNA
SCHEMBL3751057 0.78 SCN9A (0.66) ALDH1A1SCN9AKCNH2SCN5A
SCHEMBL3758129 0.78 ALDH1A1 (0.76) ALDH1A1KMT2ATP53SMN1; SMN2LMNA
SCHEMBL3753987 0.77 SCN9A (0.54) ALDH1A1KMT2ATP53SMN1; SMN2LMNA
SCHEMBL3761017 0.77 KCNA5 (0.56) ALDH1A1KMT2ATP53SMN1; SMN2LMNA

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 ALDH1A1 315/4885KMT2A 3483/4885TP53 3912/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ALDH1A1 310/4885KMT2A 3979/4885TP53 3602/4885

“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.