Iodide

Iodide

SCHEMBL5581936

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

nearest known ligand 0.44

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 8)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 13/20 0.40
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
LMNA P02545 1/20 0.34
GGPS1 O95749 1/20 0.32

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 SCHEMBL5581355 0.87 ACHE (0.44) ALDH1A1ACHE
Bromide SCHEMBL5581090 0.83 ACHE (0.48) ALDH1A1ACHE
Iodide SCHEMBL5581465 0.81 ALDH1A1 (0.42) ALDH1A1ACHELMNA
Iodide SCHEMBL5581390 0.80 ACHE (0.48) ALDH1A1ACHEKDM4E
Iodide SCHEMBL5581467 0.79 ACHE (0.50) ALDH1A1ACHELMNA
Iodide SCHEMBL5581565 0.77 ALDH1A1 (0.48) ALDH1A1ACHEAPOBEC3AAPOBEC3GLMNA
Iodide SCHEMBL5581330 0.76 ACHE (0.48) ALDH1A1ACHE
Iodide SCHEMBL5581993 0.76 CYP2D6 (0.51) ALDH1A1ACHE
Hydrochloric Acid SCHEMBL11775312 0.76 LMNA (0.54) ALDH1A1ACHEKDM4ELMNA
Bromide SCHEMBL5581061 0.76 ACHE (0.53) ALDH1A1ACHELMNA

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 9 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-B8 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT PROTHERICS MOLECULAR DESIGN LT (GB) 2006-03-01 EP 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
EP-0988059-A2 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LIMITED (GB) 2000-03-29 EP disclosed
WO-1998057662-A2 THERAPEUTIC SYSTEMS ENZACTA R & D LIMITED (GB) 1998-12-23 WO 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 ACHE 4315/4885ALDH1A1 1498/4885KDM4E 4052/4885
US-20030086933-A1 Therapeutic systems NQO2, NQO1, NAPRT ACHE 4315/4885ALDH1A1 1498/4885KDM4E 4052/4885

“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.