Iodide

Iodide

SCHEMBL3049337

Cc1n(CCCOC(=O)C(O)(c2ccccc2)C2CCCC2)cc[n+]1C.[I-]

nearest known ligand 0.60

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 4/20 0.51
CHRM3 known ✓ P20309 3/20 0.45
HTT P42858 1/20 0.60
ALDH1A1 P00352 3/20 0.54
POLB P06746 1/20 0.53
CHRM2 P08172 4/20 0.51
KCNH2 Q12809 3/20 0.51
SLC6A3 Q01959 2/20 0.51
LMNA P02545 2/20 0.48
HRH1 P35367 1/20 0.47
SLC29A1 Q99808 1/20 0.47
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 2/20 0.45
CHRM4 P08173 2/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45

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 SCHEMBL2795185 0.99 HTT (0.62) HTTALDH1A1POLBCHRM2CHRM1
SCHEMBL5133292 0.99 HTT (0.61) HTTALDH1A1POLBCHRM2CHRM1
Bromide SCHEMBL2795780 0.97 HTT (0.62) HTTALDH1A1POLBCHRM2CHRM1
Iodide SCHEMBL3040643 0.93 POLB (0.56) HTTALDH1A1POLBCHRM2CHRM1
Iodide SCHEMBL3044210 0.93 POLB (0.56) HTTALDH1A1POLBCHRM2CHRM1
SCHEMBL5209257 0.92 POLB (0.57) HTTALDH1A1POLBCHRM2CHRM1
SCHEMBL5134235 0.92 POLB (0.57) HTTALDH1A1POLBCHRM2CHRM1
Iodide SCHEMBL2792393 0.89 HTT (0.48) HTTALDH1A1POLBCHRM2CHRM1
Bromide SCHEMBL2797247 0.87 HTT (0.48) HTTALDH1A1POLBCHRM2CHRM1
Iodide SCHEMBL3038880 0.87 HTT (0.45) HTTCHRM2CHRM1CHRM3

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 8 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-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 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 (3 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 1/4885HTT 2126/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 CHRM1 853/4885CHRM3 1496/4885HTT 1159/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CHRM1 158/4885CHRM3 88/4885HTT 4847/4885

“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.