Iodide

Iodide

SCHEMBL5581993

O=CNc1ccc[n+](CCc2ccccc2)c1.[I-]

nearest known ligand 0.51

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
ACHE known ✓ P22303 10/20 0.42
CYP2D6 P10635 1/20 0.51
ALDH1A1 P00352 1/20 0.46
HDAC1 Q13547 2/20 0.36
IDO1 P14902 1/20 0.36
CHRNA7 P36544 2/20 0.35
CHRNA10 Q9GZZ6 2/20 0.35
CHRNA9 Q9UGM1 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC4 P56524 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35

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 SCHEMBL5581467 0.85 ACHE (0.50) CYP2D6ALDH1A1ACHENPSR1L3MBTL1
Hydrochloric Acid SCHEMBL11775312 0.82 LMNA (0.54) CYP2D6ALDH1A1ACHENPSR1L3MBTL1
Bromide SCHEMBL5581061 0.82 ACHE (0.53) CYP2D6ALDH1A1ACHENPSR1L3MBTL1
Iodide SCHEMBL5581355 0.80 ACHE (0.44) ALDH1A1ACHE
Iodide SCHEMBL5581390 0.80 ACHE (0.48) CYP2D6ALDH1A1ACHE
SCHEMBL14337771 0.78 ACHE (0.48) ALDH1A1ACHECHRNA7CHRNA10CHRNA9
Bromide SCHEMBL5581090 0.77 ACHE (0.48) ALDH1A1ACHE
Iodide SCHEMBL5581936 0.76 ALDH1A1 (0.44) ALDH1A1ACHE
Iodide SCHEMBL5581465 0.75 ALDH1A1 (0.42) CYP2D6ALDH1A1ACHEHSP90AA1ADH1B
Bromide SCHEMBL5580703 0.75 ACHE (0.53) ACHE

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 4315/4885CYP2D6 435/4885ALDH1A1 1498/4885
US-20030086933-A1 Therapeutic systems NQO2, NQO1, NAPRT ACHE 4315/4885CYP2D6 435/4885ALDH1A1 1498/4885

“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.