Iodide

Iodide

SCHEMBL20188018

Cc1cc(OC(F)(F)F)ccc1-c1cc[n+](N)nc1.[I-]

nearest known ligand 0.45

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 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.45
CYP1A2 P05177 3/20 0.41
GPR3 P46089 3/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ABL1 P00519 2/20 0.35
MCHR1 Q99705 1/20 0.35
SCN10A Q9Y5Y9 2/20 0.34
KCNH2 Q12809 1/20 0.34
PDE10A Q9Y233 2/20 0.33
PDE2A O00408 1/20 0.33
PDE7A Q13946 1/20 0.33

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 SCHEMBL20190773 0.79 SCN5A (0.40) SCN5ASCN10AKCNH2
SCHEMBL20188635 0.77 SCN5A (0.49) SCN5ACYP1A2GPR3FFAR4MAOA
SCHEMBL28177887 0.71 SCN5A (0.51) SCN5ACYP1A2GPR3FFAR4
SCHEMBL15769209 0.68 DYRK1A (0.47) SCN5ACYP1A2GPR3FFAR4HRH4
SCHEMBL20189150 0.68 SCN5A (0.49) SCN5ACYP1A2GPR3FFAR4ALOX5AP
SCHEMBL22738656 0.68 SCN5A (0.46) SCN5ACYP1A2GPR3FFAR4ALOX5AP
SCHEMBL22066438 0.68 SCN5A (0.46) SCN5ACYP1A2GPR3FFAR4ALOX5AP
SCHEMBL22712320 0.67 SCN5A (0.47) SCN5ACYP1A2GPR3FFAR4MAOA
SCHEMBL20191130 0.67 SCN5A (0.47) SCN5ACYP1A2GPR3FFAR4MAOA
SCHEMBL1242930 0.66 SCN5A (0.46) SCN5AGPR3FFAR4ALOX5APFEN1

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 8/4885CYP1A2 1988/4885GPR3 1830/4885

“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.