SCHEMBL3758138

SCHEMBL3758138

O=C(NCn1nnc2ccccc21)C1c2ccccc2C(=O)N1CCc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.56
SCN5A Q14524 12/20 0.56
KCNH2 Q12809 12/20 0.56
KCNQ2 O43526 1/20 0.42
KCNA5 P22460 1/20 0.42
SCN2A Q99250 1/20 0.42
MGAM O43451 1/20 0.42
AMY1A P0DUB6 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
RAB9A P51151 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL3757950 0.93 NPC1 (0.48) SCN9ASCN5AKCNH2KCNQ2KCNA5
SCHEMBL3750284 0.83 SCN9A (0.42) SCN9ASCN5AKCNH2GAARAB9A
SCHEMBL3757185 0.82 KCNA5 (0.47) KCNH2KCNA5
SCHEMBL3757677 0.80 ALDH1A1 (0.45) KCNA5GAAKMT2A
SCHEMBL3748881 0.79 SCN9A (0.64) SCN9ASCN5AKCNH2KCNQ2KCNA5
SCHEMBL3745632 0.78 KCNA5 (0.61) KCNH2KCNA5
SCHEMBL3748957 0.78 KCNA5 (0.47) KCNH2KCNA5
SCHEMBL3745637 0.78 KCNA5 (0.55) KCNH2KCNA5RAB9AKMT2A
SCHEMBL3750010 0.75 TSHR (0.46) KCNA5RAB9AKMT2A
SCHEMBL3751784 0.75 KCNA5 (0.66) KCNH2KCNA5MGAMAMY1AGAA

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.