Iodide

Iodide

SCHEMBL4160980

C[N+]1(CCO)CCN(C(=O)Nc2cc(F)cc(F)c2)CC1.[I-]

nearest known ligand 0.42

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 11)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 6/20 0.42
CYP2D6 P10635 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
S1PR2 O95136 2/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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 SCHEMBL4157382 0.88 ALDH1A1 (0.58) CYP2D6ALDH1A1CYP2C19CYP1A2USP2
Iodide SCHEMBL4152051 0.86 MAPT (0.48) ALDH1A1USP2TSHR
Iodide SCHEMBL4156720 0.85 MAPT (0.57) ALDH1A1KMT2ATSHRSMN1; SMN2
Iodide SCHEMBL4155309 0.84 CACNA1H (0.47) CACNA1HCYP2D6ALDH1A1CYP2C19CYP1A2
SCHEMBL5239194 0.83 MAPT (0.58) ALDH1A1KMT2ATSHRSMN1; SMN2
Iodide SCHEMBL4154016 0.82 CACNA1H (0.41) CACNA1HCYP2D6ALDH1A1CYP2C19CYP1A2
Bromide SCHEMBL4171632 0.82 MAPT (0.57) ALDH1A1KMT2ATSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL4162672 0.82 MAPT (0.57) ALDH1A1KMT2ATSHRSMN1; SMN2
Iodide SCHEMBL4155323 0.81 NPSR1 (0.59) ALDH1A1KMT2A
Iodide SCHEMBL4159179 0.78 LMNA (0.51) ALDH1A1CYP2C19CYP1A2KMT2AUSP2

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 CACNA1H 794/4885CYP2D6 1577/4885ALDH1A1 2805/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A CACNA1H 794/4885CYP2D6 1577/4885ALDH1A1 2805/4885

“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.