Iodide

Iodide

SCHEMBL13387357

COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](C)c4ccccc34)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
▸ ACHE known ✓ P22303 3/20 0.48
▸ APP P05067 5/20 1.00
▸ PTGER4 P35408 1/20 0.51
▸ BCHE P06276 2/20 0.48
▸ CHAT P28329 1/20 0.46
▸ RAD52 P43351 2/20 0.46
▸ PKM P14618 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40

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 SCHEMBL13387358 1.00 APP (1.00) APPPTGER4ACHEBCHECHAT
SCHEMBL13551414 0.99 APP (0.98) APPPTGER4ACHEBCHECHAT
Iodide SCHEMBL15901725 0.89 APP (0.85) APPPTGER4ACHEBCHERAD52
Iodide SCHEMBL15901726 0.89 APP (0.85) APPPTGER4ACHEBCHERAD52
SCHEMBL15910126 0.88 APP (0.87) APPPTGER4ACHEBCHECHAT
SCHEMBL13551412 0.88 APP (0.81) APPPTGER4ACHEBCHECHAT
Bromide SCHEMBL13387570 0.87 APP (0.79) APPPTGER4ACHEBCHECHAT
Bromide SCHEMBL13387572 0.87 APP (0.79) APPPTGER4ACHEBCHECHAT
SCHEMBL15910125 0.86 APP (0.84) APPPTGER4ACHEBCHERAD52
SCHEMBL13551415 0.85 APP (0.98) APPPTGER4ACHEBCHECHAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795694-B2 Imaging beta-amyloid peptides aggregation HONG KONG BAPTIST UNIVERSITY (HK) 2017-10-24 — — US disclosed
US-20160243264-A1 Imaging Beta-Amyloid Peptides Aggregation HONG KONG BAPTIST UNIVERSITY (HK) 2016-08-25 — — US disclosed
US-9403794-B2 Imaging beta-amyloid peptides and inhibition of beta-amyloid peptide aggregation HONG KONG BAPTIST UNIVERSITY (HK) 2016-08-02 — — US disclosed
US-9255933-B2 Imaging beta-amyloid peptides and inhibition of beta-amyloid peptide aggregation HONG KONG BAPTIST UNIVERSITY (HK) 2016-02-09 — — US disclosed
US-9156814-B2 Imaging beta-amyloid peptides and inhibition of beta-amyloid peptide aggregation HONG KONG BAPTIST UNIVERSITY (HK) 2015-10-13 — — US disclosed
US-20140212360-A1 Imaging Beta-Amyloid Peptides and Inhibition of Beta-Amyloid Peptide Aggregation HONG KONG BAPTIST UNIVERSITY (HK) 2014-07-31 — — US disclosed
US-20140213614-A1 Imaging Beta-Amyloid Peptides and Inhibition of Beta-Amyloid Peptide Aggregation HONG KONG BAPTIST UNIVERSITY (HK) 2014-07-31 — — US disclosed
US-20120269738-A1 Imaging Beta-Amyloid Peptides and Inhibition of Beta-Amyloid Peptide Aggregation HONG KONG BAPTIST UNIVERSITY (HK) 2012-10-25 — — 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 (3 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-20120269738-A1 Imaging Beta-Amyloid Peptides and Inhibition of Beta-Amyloid Peptide Aggregation APP, IAPP, BACE1 ACHE 121/4885APP 1/4885PTGER4 4506/4885
US-20140213614-A1 Imaging Beta-Amyloid Peptides and Inhibition of Beta-Amyloid Peptide Aggregation APP, IAPP, BACE1 ACHE 42/4885APP 1/4885PTGER4 4252/4885
US-20160243264-A1 Imaging Beta-Amyloid Peptides Aggregation APP, IAPP, APBA1 ACHE 62/4885APP 1/4885PTGER4 4526/4885

“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.

Send feedback