SCHEMBL3750552

SCHEMBL3750552

COc1ccc(Br)cc1CCN1C(=O)c2ccccc2C1C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.59
SCN5A Q14524 7/20 0.59
KCNH2 Q12809 6/20 0.59
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.51
TDP1 Q9NUW8 1/20 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
SCHEMBL3751844 0.89 SCN9A (0.61) SCN9ASCN5AKCNH2KMT2AALDH1A1
SCHEMBL3762790 0.86 KMT2A (0.60) SCN9ASCN5AKCNH2KMT2AALDH1A1
SCHEMBL3750006 0.81 ALDH1A1 (0.66) SCN9AKCNH2MAPTKMT2AALDH1A1
SCHEMBL3751057 0.80 SCN9A (0.66) SCN9ASCN5AKCNH2ALDH1A1TDP1
SCHEMBL3941925 0.78 KMT2A (0.80) SCN9AKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL3949592 0.77 SCN9A (0.56) SCN9ASCN5AKCNH2ALDH1A1TDP1
SCHEMBL3950604 0.76 SCN9A (0.59) SCN9ASCN5AKCNH2ALDH1A1TDP1
SCHEMBL3753420 0.75 ALDH1A1 (0.61) SCN9ASCN5AKCNH2ALDH1A1LMNA
SCHEMBL3759970 0.75 SCN9A (0.65) SCN9ASCN5AKCNH2
SCHEMBL3751622 0.75 SCN9A (0.62) SCN9ASCN5AKCNH2TDP1

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 119/4885SCN5A 48/4885KCNH2 2/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 SCN9A 177/4885SCN5A 26/4885KCNH2 2/4885

“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.