SCHEMBL3750779

SCHEMBL3750779

C[Si](C)(C)CNC(=O)C1c2ccccc2C(=O)N1Cc1cccc(OC(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.49
KCNH2 Q12809 3/20 0.49
SCN5A Q14524 2/20 0.49
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 2/20 0.46
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
GAA P10253 1/20 0.43
KCNA5 P22460 1/20 0.43

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
SCHEMBL3758510 0.91 ALDH1A1 (0.50) SCN9AKCNH2SCN5AALDH1A1LMNA
SCHEMBL3762772 0.88 SCN9A (0.56) SCN9AKCNH2SCN5AALDH1A1LMNA
SCHEMBL3743693 0.83 KCNH2 (0.50) SCN9AKCNH2SCN5AALDH1A1LMNA
SCHEMBL3756911 0.80 ALDH1A1 (0.55) KCNH2ALDH1A1TP53POLBPRMT5
SCHEMBL3750070 0.80 SCN9A (0.57) SCN9AKCNH2SCN5ATDP1KCNA5
SCHEMBL3763248 0.79 SCN9A (0.58) SCN9AKCNH2SCN5AKCNA5
SCHEMBL3941333 0.79 SCN9A (0.65) SCN9AKCNH2SCN5ATDP1KCNA5
SCHEMBL3751691 0.78 SCN9A (0.60) SCN9AKCNH2SCN5ATDP1KCNA5
SCHEMBL3750436 0.78 ALDH1A1 (0.63) SCN9AKCNH2SCN5AALDH1A1LMNA
SCHEMBL3753429 0.78 SCN9A (0.58) SCN9AKCNH2SCN5AALDH1A1TP53

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.