Iodide

Iodide

SCHEMBL6795260

CN1C(C(=O)NCCC[N+](C)(C)C)=Cc2ccccc2S1(=O)=O.[I-]

nearest known ligand 0.38

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 9)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.38
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
LMNA P02545 2/20 0.33
THRB P10828 2/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL7192499 0.99 CAPN1 (0.38) CAPN1APOBEC3AAPOBEC3GCTDSP1LMNA
Iodide SCHEMBL6792333 0.76 PTGS1 (0.53) LMNA
Iodide SCHEMBL6796588 0.75 CAPN1 (0.52) CAPN1LMNATHRB
Iodide SCHEMBL6796460 0.74 CAPN1 (0.41) CAPN1LMNA
SCHEMBL7087940 0.73 CAPN1 (0.53) CAPN1LMNATHRB
Iodide SCHEMBL6802074 0.73 PTGS1 (0.54) LMNA
Iodide SCHEMBL6790320 0.73 MAPT (0.48) CAPN1
Iodide SCHEMBL6794705 0.72 MAPT (0.41) CAPN1LMNA
SCHEMBL7175203 0.72 MAPT (0.48) CAPN1
SCHEMBL7091506 0.72 CA2 (0.42) CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063696-A1 1,1-dioxo-2h-1,2-benzothiazine-3-carboxamide derivatives,method for preparing same and pharmaceutical compositions comprising same INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2004-04-01 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-20040063696-A1 1,1-dioxo-2h-1,2-benzothiazine-3-carboxamide derivatives,method for preparing same and pharmaceutical compositions comprising same ADCY2, ADCY1, HRH2 CAPN1 2480/4885APOBEC3A 2758/4885APOBEC3G 3496/4885

“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.