Iodide

Iodide

SCHEMBL310215

COc1cc(-c2ccc[n+](CC(C)C)c2)ccc1[N+](=O)[O-].[I-]

nearest known ligand 0.43

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 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.43
ABCB1 P08183 4/20 0.43
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCC1 P33527 1/20 0.38
LMNA P02545 1/20 0.38

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 SCHEMBL310926 0.87 CHEK1 (0.46) CHEK1ALDH1A1TDP1LMNA
SCHEMBL2955866 0.86 CHEK1 (0.46) CHEK1ABCB1ALDH1A1TDP1ABCC1
SCHEMBL10258010 0.86 CHEK1 (0.46) CHEK1ALDH1A1TDP1LMNA
Iodide SCHEMBL2203284 0.85 ABCB1 (0.46) CHEK1ABCB1ALDH1A1TDP1ABCC1
SCHEMBL12428994 0.84 CHEK1 (0.45) CHEK1ABCB1ALDH1A1TDP1ABCC1
SCHEMBL12428999 0.82 CHEK1 (0.43) CHEK1ABCB1ALDH1A1TDP1ABCC1
Bromide SCHEMBL2205235 0.81 CHEK1 (0.43) CHEK1ABCB1ALDH1A1TDP1ABCC1
Iodide SCHEMBL2207995 0.76 ABCB1 (0.48) ABCB1ALDH1A1TDP1ABCC1LMNA
SCHEMBL11224598 0.75 CHEK1 (0.61) CHEK1ABCB1ALDH1A1TDP1ABCC1
SCHEMBL12429002 0.74 ABCB1 (0.46) ABCB1ALDH1A1TDP1ABCC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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 (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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 CHEK1 240/4885ABCB1 683/4885ALDH1A1 3410/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 CHEK1 240/4885ABCB1 683/4885ALDH1A1 3410/4885

“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.