Iodide

Iodide

SCHEMBL6366382

CC[n+]1c(C)sc2cc(OC)ccc21.[I-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 1.00
▸ POLB P06746 2/20 1.00
▸ APOBEC3A P31941 1/20 0.74
▸ KDM4E B2RXH2 5/20 0.67
▸ LMNA P02545 5/20 0.67
▸ ALDH1A1 P00352 8/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ GAA P10253 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTT P42858 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL8003049 0.98 MAPT (0.97) MAPTPOLBAPOBEC3AKDM4ELMNA
SCHEMBL4663932 0.93 MAPT (0.86) MAPTPOLBAPOBEC3AKDM4ELMNA
Iodide SCHEMBL2987038 0.88 MAPT (0.78) MAPTPOLBAPOBEC3AKDM4ELMNA
SCHEMBL14403381 0.86 MAPT (0.75) MAPTPOLBAPOBEC3AKDM4ELMNA
Bromide SCHEMBL6247610 0.82 MAPT (0.71) MAPTPOLBAPOBEC3AKDM4ELMNA
Bromide SCHEMBL11598353 0.80 MAPT (0.66) MAPTPOLBAPOBEC3AKDM4ELMNA
Iodide SCHEMBL29039127 0.79 MAPT (0.76) MAPTPOLBAPOBEC3AKDM4ELMNA
Iodide SCHEMBL31063745 0.79 MAPT (0.76) MAPTPOLBAPOBEC3AKDM4ELMNA
SCHEMBL8943203 0.78 MAPT (0.96) MAPTPOLBAPOBEC3AKDM4ELMNA
SCHEMBL13652077 0.77 MAPT (0.73) MAPTPOLBAPOBEC3AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 — — US claimed
US-20230372309-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST KYOTO UNIVERSITY (JP) 2023-11-23 — — US disclosed
EP-4218818-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST Kyoto University (JP) 2023-08-02 — — EP disclosed
CN-116234578-A Alpha 2 adrenoreceptor antagonists 国立大学法人京都大学 2023-06-06 — — CN disclosed
WO-2022065354-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST 国立大学法人京都大学 2022-03-31 — — WO disclosed
EP-3085698-B1 PAIN-RELATED COMPOUND AND MEDICINAL COMPOSITION UNIV KYOTO (JP) 2019-11-13 — — EP disclosed
CN-105829291-B Pain-associated compounds and pharmaceutical compositions 国立大学法人京都大学 2019-05-21 — — CN disclosed
US-9745275-B2 Pain-related compound and medical composition KYOTO UNIVERSITY (JP) 2017-08-29 — — US disclosed
US-20170029389-A1 PAIN-RELATED COMPOUND AND MEDICAL COMPOSITION KYOTO UNIVERSITY (JP) 2017-02-02 — — US disclosed
EP-3085698-A1 PAIN-RELATED COMPOUND AND MEDICINAL COMPOSITION Kyoto University (JP) 2016-10-26 — — EP disclosed
CN-105829291-A Pain-associated compounds and pharmaceutical compositions 国立大学法人京都大学 2016-08-03 — — CN disclosed
EP-0889363-B1 Near IR sensitive photoimageable/photopolymerizable compositions, media, and associated processes DU PONT (US) 2005-10-05 — — EP disclosed
US-6861201-B2 Near IR sensitive photoimageable/photopolymerizable compositions, media, and associated processes E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-01 — — US disclosed
US-20040191681-A1 Near IR sensitive photoimageable/photopolymerizable compositions, media, and associated processes WEED GREGORY C 2004-09-30 — — US disclosed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 — — US disclosed
US-20020064728-A1 Near IR sensitive photoimageable/photopolymerizable compositions, media, and associated processes E.I. DU PONT DE NEMOURS AND COMPANY 2002-05-30 — — US disclosed
EP-0889363-A1 Near IR sensitive photoimageable/photopolymerizable compositions, media, and associated processes E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-07 — — 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-20230372309-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST ADRA2A, ADRB2, ADRA2B MAPT 2183/4885POLB 1937/4885APOBEC3A 3375/4885
US-20170029389-A1 PAIN-RELATED COMPOUND AND MEDICAL COMPOSITION OPRL1, TRPV1, P2RY11 MAPT 672/4885POLB 3961/4885APOBEC3A 4277/4885

“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.

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