SCHEMBL3758084

SCHEMBL3758084

O=C(NCCc1ccccc1)C1c2ccccc2C(=O)N1CCO

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 1/20 0.57
TP53 P04637 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
SCN9A Q15858 8/20 0.49
SCN5A Q14524 7/20 0.49
KCNH2 Q12809 5/20 0.49
KCNA5 P22460 3/20 0.49

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
SCHEMBL3942840 0.93 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL3758129 0.88 ALDH1A1 (0.76) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL3753733 0.86 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL3946126 0.84 KMT2A (0.64) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL3754848 0.83 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL3760753 0.83 KCNA5 (0.63) ALDH1A1SMN1; SMN2KMT2ATP53TDP1
SCHEMBL3751057 0.83 SCN9A (0.66) ALDH1A1TDP1SCN9ASCN5AKCNH2
SCHEMBL3758556 0.83 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL3754140 0.81 KCNA5 (0.58) ALDH1A1KMT2ATP53TDP1KCNH2
SCHEMBL3941925 0.81 KMT2A (0.80) ALDH1A1LMNASMN1; SMN2KMT2ATP53

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 315/4885LMNA 228/4885SMN1; SMN2 2575/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ALDH1A1 310/4885LMNA 461/4885SMN1; SMN2 3040/4885

“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.