Iodide

Iodide

SCHEMBL4159942

C=CC[N+]1(C)CCN(C(=O)Nc2cccc(Cl)c2)CC1.[I-]

nearest known ligand 0.58

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
ALDH1A1 P00352 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
RECQL P46063 1/20 0.58
MAPT P10636 5/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 2/20 0.52
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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 SCHEMBL4152999 0.96 ALDH1A1 (0.60) ALDH1A1NPSR1MEN1KMT2ARECQL
Iodide SCHEMBL4160958 0.89 MAPT (0.55) ALDH1A1NPSR1MEN1KMT2ARECQL
Iodide SCHEMBL4167966 0.87 ALDH1A1 (0.56) ALDH1A1MAPTNPC1SMN1; SMN2TSHR
Iodide SCHEMBL4159261 0.87 TRPV1 (0.49) ALDH1A1MEN1KMT2AMAPTRAB9A
Iodide SCHEMBL4150132 0.84 NPSR1 (0.56) ALDH1A1NPSR1MEN1KMT2ARECQL
Iodide SCHEMBL4155340 0.84 ALDH1A1 (0.61) ALDH1A1NPSR1MEN1KMT2ARECQL
Iodide SCHEMBL4159269 0.83 ALDH1A1 (0.70) ALDH1A1NPSR1MEN1KMT2ARECQL
Iodide SCHEMBL4162764 0.83 LMNA (0.48) ALDH1A1NPSR1MEN1KMT2ARECQL
Iodide SCHEMBL4157680 0.80 MAPT (0.46) ALDH1A1MAPTNPC1RAB9ATSHR
Iodide SCHEMBL4166980 0.79 ALDH1A1 (0.71) ALDH1A1NPSR1MEN1KMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-05-07 US disclosed
US-7485646-B2 Serotonin 5-HT3 receptor agonist RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-02-03 US disclosed
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-11-15 US disclosed
EP-1798227-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST Research Foundation Itsuu Laboratory (JP) 2007-06-20 EP 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 (2 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-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST HTR3A, HTR7, HTR1A ALDH1A1 2805/4885NPSR1 24/4885MEN1 2589/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A ALDH1A1 2805/4885NPSR1 24/4885MEN1 2589/4885

“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.