Iodide

Iodide

SCHEMBL5581997

CC(c1ccccc1)[n+]1cccc(NC=O)c1.[I-]

nearest known ligand 0.46

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 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.36
RAD52 P43351 1/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MTOR P42345 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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 SCHEMBL5581954 0.83 ALDH1A1 (0.44) ALDH1A1MAPTRAD52KMT2AMEN1
Bromide SCHEMBL5581074 0.80 ALDH1A1 (0.44) ALDH1A1MAPTRAD52KMT2AMEN1
Iodide SCHEMBL5581565 0.71 ALDH1A1 (0.48) ALDH1A1LMNAAPOBEC3AAPOBEC3G
SCHEMBL9242480 0.69 TAAR1 (0.41) ALDH1A1KMT2ATAAR1KDM4EHTT
SCHEMBL125795 0.69 MEN1 (0.47) ALDH1A1MAPTRAD52KMT2AMEN1
Bromide SCHEMBL10613335 0.67 LMNA (0.42) ALDH1A1KMT2ATAAR1KDM4EHTT
Iodide SCHEMBL5581936 0.67 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAAPOBEC3AAPOBEC3G
Iodide SCHEMBL5581467 0.67 ACHE (0.50) ALDH1A1LMNA
SCHEMBL23353504 0.67 ALDH1A1 (1.00) ALDH1A1HSD17B10TDP1LMNA
Formanilide SCHEMBL29177030 0.67 ALDH1A1 (1.00) ALDH1A1HSD17B10TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070166296-A1 Therapeutic Systems ENZACTA R & D LIMITED 2007-07-19 US disclosed
US-7138122-B2 Therapeutic systems ENZACTA R & D LIMITED (GB) 2006-11-21 US disclosed
EP-0988059-B1 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LTD (GB) 2005-12-07 EP disclosed
US-6867231-B1 Therapeutic systems ENZACTA R & D LIMITED (GB) 2005-03-15 US disclosed
EP-1468698-A2 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LIMITED (GB) 2004-10-20 EP disclosed
US-20030086933-A1 Therapeutic systems ENZACTA R & D LIMITED 2003-05-08 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 (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-20070166296-A1 Therapeutic Systems NQO2, NQO1, NAPRT ALDH1A1 1498/4885MAPT 4009/4885RAD52 692/4885
US-20030086933-A1 Therapeutic systems NQO2, NQO1, NAPRT ALDH1A1 1498/4885MAPT 4009/4885RAD52 692/4885

“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.