Iodide

Iodide

SCHEMBL20190773

N[n+]1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.[I-]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

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

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 11/20 0.40
SCN10A Q9Y5Y9 6/20 0.40
KCNH2 Q12809 4/20 0.40
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN9A Q15858 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
KIF11 P52732 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
PRMT6 Q96LA8 1/20 0.38

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
Iodide SCHEMBL20188018 0.79 SCN5A (0.45) SCN5ASCN10AKCNH2
SCHEMBL20189468 0.71 SCN5A (0.46) SCN5ASCN10AKCNH2SCN1ASCN2A
SCHEMBL18654126 0.70 LTA4H (0.56) SCN5ASCN10AKCNH2SCN1ASCN2A
SCHEMBL1227164 0.68 CHRM5 (0.52) SCN5ASCN10AKCNH2SCN1ASCN2A
SCHEMBL1333400 0.68 ABL1 (0.53) SCN5ASCN10AKCNH2SCN1ASCN2A
SCHEMBL17157363 0.68 SCN5A (0.48) SCN5ASCN10AKCNH2SCN1ASCN2A
SCHEMBL1242144 0.68 KIF11 (0.52) SCN5ASCN10AKCNH2SCN1ASCN2A
SCHEMBL18012042 0.67 KIF11 (0.41) SCN5ASCN1ASCN2AKIF11NISCH
SCHEMBL8103595 0.67 ABL1 (0.54) SCN5AKIF11PRMT6
SCHEMBL1742853 0.67 CHRM5 (0.54) SCN5ASCN10AKCNH2SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098500-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 WO 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 (1 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-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B SCN5A 8/4885SCN10A 24/4885KCNH2 47/4885

“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.