Iodide

Iodide

SCHEMBL4557376

CCCCn1cc[n+](C)c1.I.[I-].[Zn]

nearest known ligand 0.89

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
MEN1 O00255 2/20 0.73
HSP90AA1 P07900 2/20 0.73
KMT2A Q03164 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
NPC1 O15118 2/20 0.73
HTT P42858 2/20 0.73
RAB9A P51151 2/20 0.73
APAF1 O14727 1/20 0.73
PLA2G1B P04054 1/20 0.73
MAPT P10636 1/20 0.73
MAPK1 P28482 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
ATG4B Q9Y4P1 1/20 0.73
FDPS P14324 15/20 0.39
PON1 P27169 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PABPC1 P11940 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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 SCHEMBL17273624 0.98 MEN1 (0.76) MEN1HSP90AA1KMT2ASMN1; SMN2NPC1
Iodide SCHEMBL3697966 0.96 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2NPC1
Iodide SCHEMBL412962 0.96 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2NPC1
Bromide SCHEMBL33528969 0.94 SMN1; SMN2 (0.82) MEN1HSP90AA1KMT2ASMN1; SMN2NPC1
SCHEMBL34969 0.94 MEN1 (0.81) MEN1HSP90AA1KMT2ASMN1; SMN2NPC1
Water SCHEMBL602794 0.92 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2NPC1
SCHEMBL2580666 0.92 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL36719 0.92 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL20957483 0.92 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2NPC1
SCHEMBL14841603 0.92 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501779-B1 CONTINUOUS CARBONYLATION PROCESS EASTMAN CHEM CO (US) 2009-12-23 EP disclosed
US-6916951-B2 Continuous carbonylation process EASTMAN CHEMICAL COMPANY (US) 2005-07-12 US disclosed
EP-1501779-A1 CONTINUOUS CARBONYLATION PROCESS EASTMAN CHEMICAL COMPANY (US) 2005-02-02 EP disclosed
WO-2003093211-A1 CONTINUOUS CARBONYLATION PROCESS EASTMAN CHEMICAL COMPANY (US) 2003-11-13 WO disclosed
US-20030212295-A1 Continuous carbonylation process EASTMAN CHEMICAL COMPANY 2003-11-13 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-20030212295-A1 Continuous carbonylation process CA4, CA5B, CA14 MEN1 2843/4885HSP90AA1 2383/4885KMT2A 1452/4885

“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.