Iodide

Iodide

SCHEMBL1885571

CCCCCCN1C=CN(c2ccc(C)cc2)C1.I

nearest known ligand 0.40

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
GRM2 Q14416 1/20 0.40
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 6/20 0.35
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
LMNA P02545 4/20 0.35
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NOD2 Q9HC29 1/20 0.35
RGS4 P49798 1/20 0.35
RGS8 P57771 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TLR8 Q9NR97 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HSP90AA1 P07900 2/20 0.33

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
SCHEMBL28283858 0.98 GRM2 (0.41) GRM2KDM4EGAAHTTNPC1
SCHEMBL28285356 0.98 GRM2 (0.41) GRM2KDM4EGAAHTTNPC1
SCHEMBL28283864 0.98 GRM2 (0.41) GRM2KDM4EGAAHTTNPC1
Bromide SCHEMBL1884725 0.97 GRM2 (0.40) GRM2KDM4EGAAHTTNPC1
SCHEMBL27804646 0.92 RGS4 (0.40) GRM2KDM4EHTTNPC1RAB9A
Iodide SCHEMBL15993122 0.87 KDM4E (0.51) GRM2KDM4EGAAHTTNPC1
Iodide SCHEMBL1883902 0.87 PSEN1 (0.36) KDM4EGAAHTTNPC1RAB9A
Iodide SCHEMBL1883854 0.87 CNR1 (0.37) KDM4EGAAHTTNPC1RAB9A
Iodide SCHEMBL15992432 0.87 CNR1 (0.37) KDM4EGAAHTTNPC1RAB9A
Iodide SCHEMBL15993158 0.87 KDM4E (0.51) GRM2KDM4EGAAHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 GRM2 426/4885KDM4E 4534/4885GAA 3802/4885

“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.