Iodide

Iodide

SCHEMBL5028676

CCCN(CCC)c1ccc2c(c1)[Se]c1cc(N(CCC)CCC)ccc1N2.I

nearest known ligand 0.37

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 2/20 0.34
AR P10275 4/20 0.37
BCHE P06276 2/20 0.34
ESRRG P62508 1/20 0.33
CDK2 P24941 1/20 0.33
IGLV6-57 P01721 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR3 P49019 1/20 0.30

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 SCHEMBL6014579 0.94 AR (0.38) ARBCHEACHEESRRGKDM4E
Iodide SCHEMBL5027296 0.89 AR (0.36) ARBCHEACHEKDM4EALDH1A1
Iodide SCHEMBL5027441 0.88 PTPN11 (0.36) ARKDM4EALDH1A1GAATDP1
Bromide SCHEMBL5025873 0.87 AR (0.39) ARBCHEACHEKDM4EALDH1A1
Iodide SCHEMBL5027491 0.86 ALDH1A1 (0.43) ARBCHEACHEIGLV6-57KDM4E
Iodide SCHEMBL6014586 0.79 SLC16A3 (0.39) ARALDH1A1DRD2DRD3
Iodide SCHEMBL6014674 0.79 SLC16A3 (0.39) ARALDH1A1DRD2DRD3
SCHEMBL12592413 0.75 SNCA (0.43) ARBCHEACHECDK2IGLV6-57
SCHEMBL1470932 0.71 SNCA (0.40) ARIGLV6-57KDM4EALDH1A1LMNA
Iodide SCHEMBL1471046 0.71 NOX1 (0.53) BCHEACHEALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407948-B2 Photosensitisers and their uses PHOTOPHARMICA LIMITED (GB) 2008-08-05 US disclosed
US-20070197494-A1 Photosensitisers and their uses PHOTOPHARMICA LIMITED (GB) 2007-08-23 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 (1 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-20070197494-A1 Photosensitisers and their uses CRY1, CYP4Z1, QDPR ACHE 621/4885AR 3912/4885BCHE 1184/4885

“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.