Iodide

Iodide

SCHEMBL4154030

C[N+]1(C)CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.[I-]

nearest known ligand 0.68

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 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.68
MAPT P10636 3/20 0.68
POLB P06746 1/20 0.68
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 2/20 0.51
RECQL P46063 1/20 0.51
PKM P14618 1/20 0.50
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CNR2 P34972 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
PDGFRB P09619 1/20 0.42
GOT1 P17174 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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 SCHEMBL4155962 0.94 NPSR1 (0.67) NPSR1MAPTPOLBKMT2AMEN1
Iodide SCHEMBL4166980 0.87 ALDH1A1 (0.71) NPSR1MAPTPOLBKMT2AMEN1
Iodide SCHEMBL4155323 0.83 NPSR1 (0.59) NPSR1MAPTPOLBKMT2AMEN1
Iodide SCHEMBL4159269 0.81 ALDH1A1 (0.70) NPSR1MAPTKMT2AMEN1ALDH1A1
Iodide SCHEMBL4164756 0.81 MAPT (0.60) NPSR1MAPTPOLBKMT2AMEN1
Iodide SCHEMBL4150132 0.81 NPSR1 (0.56) NPSR1MAPTPOLBKMT2AMEN1
Hydrochloric Acid SCHEMBL4154088 0.80 NPSR1 (0.59) NPSR1MAPTPOLBKMT2AMEN1
Bromide SCHEMBL4152044 0.80 NPSR1 (0.59) NPSR1MAPTPOLBKMT2AMEN1
Bromide SCHEMBL4167080 0.80 NPSR1 (0.59) NPSR1MAPTPOLBKMT2AMEN1
Iodide SCHEMBL4156720 0.79 MAPT (0.57) NPSR1MAPTPOLBKMT2AMEN1

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 NPSR1 24/4885MAPT 4268/4885POLB 4738/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A NPSR1 24/4885MAPT 4268/4885POLB 4738/4885

“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.