Iodide

Iodide

SCHEMBL4159261

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

nearest known ligand 0.49

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
TRPV1 Q8NER1 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
THRB P10828 1/20 0.49
FAAH O00519 1/20 0.47
TGM2 P21980 1/20 0.46
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 3/20 0.43
POLB P06746 2/20 0.43
LIMK2 P53671 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
HCRTR1 O43613 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43

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 SCHEMBL4162764 0.96 LMNA (0.48) TRPV1LMNAMAPTTHRBFAAH
Iodide SCHEMBL4159942 0.87 ALDH1A1 (0.58) LMNAMAPTFAAHALDH1A1GAA
Iodide SCHEMBL4167966 0.87 ALDH1A1 (0.56) TRPV1LMNAMAPTFAAHALDH1A1
Iodide SCHEMBL4159179 0.84 LMNA (0.51) TRPV1LMNAMAPTTHRBFAAH
Iodide SCHEMBL4162697 0.83 TRPV1 (0.57) TRPV1LMNAMAPTTHRBFAAH
Iodide SCHEMBL4152999 0.83 ALDH1A1 (0.60) LMNAMAPTFAAHALDH1A1GAA
Iodide SCHEMBL4157680 0.80 MAPT (0.46) LMNAMAPTTHRBALDH1A1GAA
Iodide SCHEMBL4160958 0.79 MAPT (0.55) MAPTTGM2ALDH1A1HTTPOLB
Iodide SCHEMBL4150132 0.76 NPSR1 (0.56) MAPTTGM2ALDH1A1HTTPOLB
SCHEMBL4310718 0.74 KDM4E (0.68) TRPV1LMNAMAPTTHRBFAAH

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 TRPV1 194/4885LMNA 4295/4885MAPT 4268/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A TRPV1 194/4885LMNA 4295/4885MAPT 4268/4885

“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.