SCHEMBL3751844

SCHEMBL3751844

COc1ccccc1CCN1C(=O)c2ccccc2C1C(=O)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.61
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.55
KCNA5 P22460 3/20 0.55
SCN5A Q14524 8/20 0.55
KCNH2 Q12809 7/20 0.55
TDP1 Q9NUW8 1/20 0.53
KCNQ2 O43526 1/20 0.52
SCN2A Q99250 1/20 0.52

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
SCHEMBL3750006 0.90 ALDH1A1 (0.66) SCN9AALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3750552 0.89 SCN9A (0.59) SCN9AALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3751057 0.85 SCN9A (0.66) SCN9AALDH1A1KCNA5SCN5AKCNH2
SCHEMBL3762790 0.84 KMT2A (0.60) SCN9AALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3759970 0.81 SCN9A (0.65) SCN9AKCNA5SCN5AKCNH2KCNQ2
SCHEMBL3950604 0.81 SCN9A (0.59) SCN9AALDH1A1KCNA5SCN5AKCNH2
SCHEMBL3756104 0.80 THRB (0.67) SCN9AALDH1A1LMNASMN1; SMN2POLB
SCHEMBL3751622 0.79 SCN9A (0.62) SCN9AKCNA5SCN5AKCNH2TDP1
SCHEMBL3950452 0.79 SCN9A (0.67) SCN9AKCNA5SCN5AKCNH2KCNQ2
SCHEMBL3758062 0.79 TDP1 (0.79) SCN9AALDH1A1KMT2AKCNA5SCN5A

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 SCN9A 119/4885ALDH1A1 315/4885LMNA 228/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 SCN9A 177/4885ALDH1A1 310/4885LMNA 461/4885

“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.