SCHEMBL3750284

SCHEMBL3750284

O=C(NCn1nnc2ccccc21)C1c2ccccc2C(=O)N1CCC1=CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.42
KCNH2 Q12809 5/20 0.42
SCN5A Q14524 4/20 0.42
USP2 O75604 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 2/20 0.40
EPHX2 P34913 1/20 0.39
TP53 P04637 1/20 0.39

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 0.84 NPC1 (0.48) SCN9AKCNH2SCN5AALDH1A1NPC1
SCHEMBL3758138 0.83 SCN9A (0.56) SCN9AKCNH2SCN5AGAARAB9A
SCHEMBL3750265 0.80 SCN9A (0.56) SCN9AKCNH2SCN5A
SCHEMBL3755346 0.78 GAA (0.54) SCN9AKCNH2USP2NPSR1ALDH1A1
SCHEMBL3757677 0.78 ALDH1A1 (0.45) NPSR1ALDH1A1GAAHPGDKDM4E
SCHEMBL3757185 0.77 KCNA5 (0.47) KCNH2NPSR1ALDH1A1TP53
SCHEMBL3748957 0.77 KCNA5 (0.47) KCNH2ALDH1A1TP53
SCHEMBL3745632 0.77 KCNA5 (0.61) KCNH2ALDH1A1TP53
SCHEMBL3761009 0.77 KCNA5 (0.57) KCNH2USP2NPSR1ALDH1A1GAA
SCHEMBL3745637 0.75 KCNA5 (0.55) KCNH2ALDH1A1NPC1POLBRAB9A

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

“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.