Iodide

Iodide

SCHEMBL5027441

CCCCCCN(CCCCCC)c1ccc2c(c1)[Se]c1cc(N(CCCCCC)CCCCCC)ccc1N2.I

nearest known ligand 0.41

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 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.36
PTPRO Q16827 1/20 0.36
AR P10275 1/20 0.35
CNR2 P34972 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNH2 Q12809 2/20 0.33
SRC P12931 2/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 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
Iodide SCHEMBL5027296 0.98 AR (0.36) PTPN11PTPROARCNR2KDM4E
Iodide SCHEMBL6014579 0.91 AR (0.38) ARKDM4ESLC16A3SLC16A1ALDH1A1
Bromide SCHEMBL5025873 0.91 AR (0.39) ARKDM4ESRCSLC16A3SLC16A1
Iodide SCHEMBL5028676 0.88 AR (0.37) ARKDM4ETDP1ALDH1A1GAA
SCHEMBL3898904 0.83 AR (0.39) PTPN11PTPROARCNR2KDM4E
Iodide SCHEMBL6014586 0.77 SLC16A3 (0.39) ARSLC16A3SLC16A1ALDH1A1
Iodide SCHEMBL6014674 0.77 SLC16A3 (0.39) ARSLC16A3SLC16A1ALDH1A1
SCHEMBL1470385 0.75 SNCA (0.37) PTPN11PTPROARCNR2KDM4E
SCHEMBL1472458 0.75 SNCA (0.39) PTPN11PTPROARKDM4ETDP1
Iodide SCHEMBL3710697 0.74 NOX1 (0.48) KDM4ETDP1ALDH1A1POLBGAA

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 PTPN11 1770/4885PTPRO 1466/4885AR 3912/4885

“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.