Iodide

Iodide

SCHEMBL3044210

Cc1n(CCOC(=O)C(O)(c2ccccc2)C2CCCCC2)cc[n+]1C.[I-]

nearest known ligand 0.56

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
CHRM1 known ✓ P11229 3/20 0.54
CHRM3 known ✓ P20309 1/20 0.50
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 3/20 0.55
CHRM2 P08172 3/20 0.54
KCNH2 Q12809 3/20 0.54
SLC6A3 Q01959 2/20 0.54
CYP3A4 P08684 3/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
HRH1 P35367 1/20 0.50
SLC29A1 Q99808 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
ABCB11 O95342 1/20 0.50
ESR1 P03372 1/20 0.50

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 SCHEMBL3040643 1.00 POLB (0.56) POLBHTTALDH1A1CHRM2CHRM1
SCHEMBL5209257 0.99 POLB (0.57) POLBHTTALDH1A1CHRM2CHRM1
SCHEMBL5134235 0.99 POLB (0.57) POLBHTTALDH1A1CHRM2CHRM1
Iodide SCHEMBL2795185 0.94 HTT (0.62) POLBHTTALDH1A1CHRM2CHRM1
Iodide SCHEMBL3049337 0.93 HTT (0.60) POLBHTTALDH1A1CHRM2CHRM1
Bromide SCHEMBL2795780 0.92 HTT (0.62) POLBHTTALDH1A1CHRM2CHRM1
SCHEMBL5133292 0.92 HTT (0.61) POLBHTTALDH1A1CHRM2CHRM1
Iodide SCHEMBL3040659 0.88 POLB (0.53) POLBHTTALDH1A1CHRM2CHRM1
Iodide SCHEMBL3040570 0.88 POLB (0.53) POLBHTTALDH1A1CHRM2CHRM1
Iodide SCHEMBL2793259 0.88 ALDH1A1 (0.44) POLBHTTALDH1A1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP claimed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP 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 (2 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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CHRM1 3/4885CHRM3 1/4885POLB 3807/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CHRM1 158/4885CHRM3 88/4885POLB 1328/4885

“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.