Iodide

Iodide

SCHEMBL662867

C[N+]1(C)[C@@H]2C[C@@H](OC(=O)Nc3cc(CCCC(=O)Nc4ccc(CO)cc4)ccc3-c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12.[I-]

nearest known ligand 0.41

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
CHRM3 known ✓ P20309 7/20 0.41
CHRM1 known ✓ P11229 3/20 0.41
CHRM2 P08172 3/20 0.41
BLM P54132 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
KDM1A O60341 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL98289 0.99 CHRM3 (0.41) CHRM3CHRM2CHRM1BLMCHRM4
SCHEMBL98288 0.99 CHRM3 (0.41) CHRM3CHRM2CHRM1BLMCHRM4
Iodide SCHEMBL663668 0.98 CHRM3 (0.40) CHRM3CHRM2CHRM1BLMCHRM4
SCHEMBL99810 0.97 CHRM3 (0.41) CHRM3CHRM2CHRM1BLMCHRM4
SCHEMBL99811 0.97 CHRM3 (0.41) CHRM3CHRM2CHRM1BLMCHRM4
Iodide SCHEMBL664041 0.94 CHRM3 (0.46) CHRM3CHRM2CHRM1BLMCHRM4
Iodide SCHEMBL662506 0.93 CHRM3 (0.38) CHRM3CHRM2CHRM1BLMCHRM4
SCHEMBL98979 0.93 CHRM3 (0.46) CHRM3CHRM2CHRM1BLMCHRM4
SCHEMBL98978 0.93 CHRM3 (0.46) CHRM3CHRM2CHRM1BLMCHRM4
Iodide SCHEMBL663055 0.91 NPC1 (0.43) CHRM3CHRM2CHRM1BLMCHRM4

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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 US claimed

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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 CHRM3 9/4885CHRM1 25/4885CHRM2 15/4885

“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.