Iodide

Iodide

SCHEMBL6794705

Cc1ccc(S(=O)(=O)OC2=C(C(=O)NCCC[N+](C)(C)C)N(C)S(=O)(=O)c3ccccc32)cc1.[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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD11B1 P28845 2/20 0.39
CAPN1 P07384 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
THPO P40225 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 3/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL7090095 0.99 MAPT (0.42) MAPTPOLBALDH1A1CYP3A4CYP2C9
Iodide SCHEMBL6796460 0.88 CAPN1 (0.41) MAPTPOLBCYP3A4CYP2C9SMN1; SMN2
Iodide SCHEMBL6796588 0.84 CAPN1 (0.52) MAPTPOLBCYP3A4CYP2C9CYP2C19
SCHEMBL7087940 0.83 CAPN1 (0.53) MAPTPOLBCYP3A4CYP2C9SMN1; SMN2
Iodide SCHEMBL6790320 0.82 MAPT (0.48) MAPTPOLBSMN1; SMN2HSD11B1CAPN1
SCHEMBL7175203 0.81 MAPT (0.48) MAPTPOLBSMN1; SMN2HSD11B1CAPN1
Iodide SCHEMBL6797798 0.80 CAPN1 (0.46) MAPTPOLBCYP3A4CYP2C9CYP2C19
Iodide SCHEMBL6792333 0.80 PTGS1 (0.53) CYP3A4CYP2C9CYP2C19HSD11B1LMNA
SCHEMBL6796572 0.80 MAPT (0.52) MAPTPOLBALDH1A1CYP3A4CYP2C9
SCHEMBL7090390 0.79 CAPN1 (0.47) MAPTPOLBCYP3A4CYP2C9CYP2C19

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 4376/4885POLB 4037/4885ALDH1A1 550/4885

“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.