SCHEMBL3750239

SCHEMBL3750239

O=C(NCCc1c[nH]c2ccccc12)C1c2ccccc2C(=O)N1CCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.51
KCNH2 Q12809 4/20 0.51
SCN5A Q14524 4/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FAAH O00519 2/20 0.48
MC4R P32245 1/20 0.47
KMT2A Q03164 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNA5 P22460 1/20 0.46
SCN2A Q99250 1/20 0.46

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
SCHEMBL3754846 0.91 CDK4 (0.52) SCN9AKCNH2SCN5AALDH1A1FAAH
SCHEMBL3745745 0.89 FAAH (0.48) ALDH1A1LMNASMN1; SMN2FAAHMC4R
SCHEMBL3754052 0.89 SIRT1 (0.52) SCN9AKCNH2SCN5AALDH1A1BCHE
SCHEMBL3752731 0.86 ALDH1A1 (0.53) SCN9AALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3759964 0.85 OPRM1 (0.47) SCN9AKCNH2SCN5AALDH1A1LMNA
SCHEMBL3755256 0.83 POLB (0.61) SCN9AKCNH2ALDH1A1MC4RKMT2A
SCHEMBL3754732 0.83 NPC1 (0.54) ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3745544 0.82 MTNR1A (0.49) ALDH1A1LMNAMC4RKMT2A
SCHEMBL3960964 0.81 SCN9A (0.70) SCN9AKCNH2SCN5AKCNQ2KCNA5
SCHEMBL3753450 0.81 KMT2A (0.54) ALDH1A1LMNAKMT2A

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.