Iodide

Iodide

SCHEMBL6790320

CC(=O)OC1=C(C(=O)NCCC[N+](C)(C)C)N(C)S(=O)(=O)c2ccccc21.[I-]

nearest known ligand 0.48

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 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
TP53 P04637 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
POLB P06746 3/20 0.47
HSD11B1 P28845 2/20 0.43
CAPN1 P07384 1/20 0.42
HTR1A P08908 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL7175203 0.99 MAPT (0.48) MAPTTP53SMN1; SMN2POLBHSD11B1
Iodide SCHEMBL6796588 0.90 CAPN1 (0.52) MAPTTP53POLBHSD11B1CAPN1
SCHEMBL7087940 0.89 CAPN1 (0.53) MAPTTP53SMN1; SMN2POLBHSD11B1
Iodide SCHEMBL6796460 0.86 CAPN1 (0.41) MAPTTP53SMN1; SMN2POLBHSD11B1
Iodide SCHEMBL6797798 0.85 CAPN1 (0.46) MAPTTP53POLBHSD11B1CAPN1
Iodide SCHEMBL6792333 0.85 PTGS1 (0.53) HSD11B1PTGS1
SCHEMBL7090390 0.84 CAPN1 (0.47) MAPTTP53POLBHSD11B1CAPN1
Iodide SCHEMBL6802074 0.82 PTGS1 (0.54) HSD11B1PTGS1
Iodide SCHEMBL6794705 0.82 MAPT (0.41) MAPTTP53SMN1; SMN2POLBHSD11B1
SCHEMBL7090095 0.81 MAPT (0.42) MAPTTP53SMN1; SMN2POLBHSD11B1

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 MAPT 4376/4885TP53 4727/4885SMN1; SMN2 3385/4885

“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.