Iodide

Iodide

SCHEMBL1883901

CCCCCC[n+]1ccn(-c2ccc(CC)cc2)c1.[I-]

nearest known ligand 0.49

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 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 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
SCHEMBL12639175 0.98 MEN1 (0.46) HTTKDM4ENPC1LMNARAB9A
SCHEMBL15993624 0.98 MEN1 (0.46) HTTKDM4ENPC1LMNARAB9A
SCHEMBL15993308 0.98 MEN1 (0.46) HTTKDM4ENPC1LMNARAB9A
Bromide SCHEMBL15992884 0.97
Bromide SCHEMBL1877140 0.97
Iodide SCHEMBL1889719 0.94 PABPC1 (0.42) HTTKDM4ENPC1LMNARAB9A
SCHEMBL12639166 0.92 ALDH1A1 (0.40) HTTKDM4ESMN1; SMN2MAPT
Bromide SCHEMBL1889463 0.91 PABPC1 (0.40) KDM4E
Iodide SCHEMBL1885569 0.88 HTT (0.56) HTTKDM4ENPC1LMNARAB9A
Iodide SCHEMBL14676267 0.87 MAPT (0.47) HTTKDM4ENPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663386-B2 Extraction of noble metal (ions) by means of ionic liquids TECHNISCHE UNIVERSITAT DRESDEN (DE) 2017-05-30 US disclosed
EP-2254871-B1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS UNIV DRESDEN TECH (DE) 2016-11-09 EP disclosed
US-9260397-B2 Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations and the use thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2016-02-16 US disclosed
US-20140246370-A1 EXTRACTION OF NOBLE METAL (IONS) BY MEANS OF IONIC LIQUIDS HELMHOLTZ-ZENTRUM DRESDEN - ROSSENDORF E.V. (DE) 2014-09-04 US disclosed
US-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2011-05-05 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-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof RDX, HAX1, CHRM2 HTT 1484/4885KDM4E 4534/4885NPC1 1145/4885

“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.