Iodide

Iodide

SCHEMBL5581390

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

nearest known ligand 0.48

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 13/20 0.48
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
CYP1A2 P05177 1/20 0.33
ADRB2 P07550 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
Bromide SCHEMBL5580703 0.88 ACHE (0.53) ACHEKDM4E
Iodide SCHEMBL5581355 0.84 ACHE (0.44) ACHEALDH1A1
Iodide SCHEMBL5581330 0.83 ACHE (0.48) ACHEALDH1A1CYP1A2ADRB2CYP2D6
Bromide SCHEMBL5581090 0.81 ACHE (0.48) ACHEALDH1A1
Iodide SCHEMBL5581993 0.80 CYP2D6 (0.51) ACHEALDH1A1CYP2D6
Iodide SCHEMBL5581936 0.80 ALDH1A1 (0.44) ACHEALDH1A1KDM4E
Iodide SCHEMBL5581465 0.79 ALDH1A1 (0.42) ACHEALDH1A1CYP1A2ADRB2CYP2D6
Iodide SCHEMBL5581467 0.76 ACHE (0.50) ACHEALDH1A1CYP1A2CYP2D6
SCHEMBL5582047 0.76 PABPC1 (0.47) ACHEALDH1A1MAPTKDM4EKMT2A
SCHEMBL14337771 0.76 ACHE (0.48) ACHEALDH1A1

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 1498/4885MAPT 4009/4885
US-20030086933-A1 Therapeutic systems NQO2, NQO1, NAPRT ACHE 4315/4885ALDH1A1 1498/4885MAPT 4009/4885

“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.