Iodide

Iodide

SCHEMBL6764433

CCOC(=O)C1(C(=O)OCC)CCC2(c3cc(OC)c(OC)cc3CCN2C(C)=O)C(C2=[N+](C)CCc3cc(OC)c(OC)cc32)C1.[I-]

nearest known ligand 0.36

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 7)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.33
KCNK3 O14649 2/20 0.36
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6757301 0.83 KCNK3 (0.37) KCNK3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6757299 0.83 KCNK3 (0.37) KCNK3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6761469 0.75 KCNN2 (0.40) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6761467 0.75 KCNN2 (0.40) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6762493 0.75 SMN1; SMN2 (0.40) KCNK3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6759762 0.68 KDM4E (0.38) KCNK3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6762067 0.68 SMN1; SMN2 (0.36) KCNK3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6759736 0.67 KDM4E (0.38) KCNK3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6759646 0.65 KCNK3 (0.38) KCNK3ALDH1A1KDM4EKMT2A
SCHEMBL6879252 0.65 KMT2A (0.37) KCNK3ALDH1A1KDM4EKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106635-A1 having small-conductance potassium channel (SK) blocking activity TANABE SEIYAKU CO., LTD. (JP) 2004-06-03 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 (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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity KCNN1, KCNN2, KCNN3 ACHE 1863/4885KCNK3 30/4885ALDH1A1 1229/4885

“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.