Sugi Predict

Sugi Predict / Compounds / Mexiletine

Mexiletine

Mexiletine

SCHEMBL2721177

CC(O)C(N)C(N)=O.Cc1cccc(C)c1OCC(C)N

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A

The experimentally established mechanism targets of Mexiletine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN4A known ✓ P35499 10/20 0.69
▸ SCN5A known ✓ Q14524 3/20 0.69
▸ SCN1A known ✓ P35498 2/20 0.69
▸ SCN9A known ✓ Q15858 2/20 0.69
▸ SCN7A known ✓ Q01118 1/20 0.69
▸ SCN2A known ✓ Q99250 1/20 0.69
▸ SCN3A known ✓ Q9NY46 1/20 0.69
▸ SCN11A known ✓ Q9UI33 1/20 0.69
▸ SCN8A known ✓ Q9UQD0 1/20 0.69
▸ SCN10A known ✓ Q9Y5Y9 1/20 0.69
▸ LMNA P02545 4/20 0.69
▸ CYP2D6 P10635 3/20 0.69
▸ CYP1A2 P05177 2/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ NFKB1 P19838 2/20 0.69
▸ TSHR P16473 2/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ KCNK3 O14649 1/20 0.69
▸ CACNA1F O60840 1/20 0.69
▸ KCNK2 O95069 1/20 0.69

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
Mexiletine SCHEMBL9953806 0.90 SCN4A (0.71) SCN4ALMNASCN5ACYP2D6SCN1A
Mexiletine SCHEMBL6525371 0.89 SCN4A (0.69) SCN4ALMNASCN5ACYP2D6SCN1A
Mexiletine SCHEMBL8819167 0.86 SCN4A (0.80) SCN4ALMNASCN5ACYP2D6SCN1A
Mexiletine SCHEMBL6518643 0.86 SCN4A (0.80) SCN4ALMNASCN5ACYP2D6SCN1A
Mexiletine SCHEMBL2719005 0.84 SCN4A (0.75) SCN4ALMNASCN5ACYP2D6SCN1A
Mexiletine SCHEMBL2718712 0.83 SCN4A (0.69) SCN4ALMNASCN5ACYP2D6SCN1A
(R)-Mexiletine SCHEMBL16082 0.83 SCN4A (1.00) SCN4ALMNASCN5ACYP2D6SCN1A
Mexiletine SCHEMBL8858385 0.83 SCN4A (1.00) SCN4ALMNASCN5ACYP2D6SCN1A
Mexiletine SCHEMBL16081 0.83 SCN4A (1.00) SCN4ALMNASCN5ACYP2D6SCN1A
(S)-Mexiletine SCHEMBL13046569 0.83 SCN4A (1.00) SCN4ALMNASCN5ACYP2D6SCN1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445866-A2 MEXILETINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF Shire LLC (US) 2012-05-02 — — EP claimed
US-20110028552-A1 MEXILETINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC 2011-02-03 — — US claimed
WO-2010149760-A2 MEXILETINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2010-12-29 — — WO claimed
US-20120196933-A1 MEXILETINE PRODRUGS FRANKLIN RICHARD (GB) 2012-08-02 — — 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-20120196933-A1 MEXILETINE PRODRUGS SLC16A1, MTPN, SLC16A3 SCN4A 88/4885SCN5A 75/4885SCN1A 70/4885
US-20110028552-A1 MEXILETINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF VIP, TRPV1, LNPEP SCN4A 131/4885SCN5A 298/4885SCN1A 189/4885

“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.