Iodide

Iodide

SCHEMBL2136222

CCC1(CC)C(=O)N(C(C)(C)C)CC(C)(C)N1OC(C)c1ccc(C(=O)N2CC[N+](C)(C)CC2)cc1.[I-]

nearest known ligand 0.35

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
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 3/20 0.34
USP2 O75604 2/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 3/20 0.32
CYP2D6 P10635 3/20 0.32
HRH3 Q9Y5N1 2/20 0.32
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MAPK1 P28482 2/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31
CHRNA9 Q9UGM1 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 2/20 0.31

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
SCHEMBL12738654 0.99 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2136799 0.89 HPGD (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2141054 0.84 RXRA (0.32) CYP3A4MAPT
SCHEMBL6884754 0.79 ELANE (0.30)
SCHEMBL12738651 0.75
Hydrochloric Acid SCHEMBL2137332 0.74
SCHEMBL7071712 0.72
SCHEMBL3367137 0.70 PPARA (0.34) ALDH1A1LMNA
SCHEMBL7070810 0.70
SCHEMBL7071716 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902368-B2 Cationic substituted 2,2,6,6-tetraalkylpiperidinyl alkoxyamines BASF SE (DE) 2011-03-08 US disclosed
US-20090306382-A1 CATIONIC ALKOXYAMINES MUEHLEBACH ANDREAS 2009-12-10 US disclosed
EP-1515950-B1 CATIONIC ALKOXYAMINES AND THEIR USE IN PRODUCING NANO PARTICLES FROM NATURAL OR SYNTHETIC CLAYS BASF SE (DE) 2009-12-02 EP disclosed
US-7595359-B2 Organoclays; coatings, sealants, caulks, adhesives and plastic additives CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-09-29 US disclosed
US-20050215691-A1 Cationic alkoxyamines and their use in producing nano particles from natural or synthetic clays BASF SE (DE) 2005-09-29 US disclosed
EP-1515950-A1 CATIONIC ALKOXYAMINES AND THEIR USE IN PRODUCING NANO PARTICLES FROM NATURAL OR SYNTHETIC CLAYS Ciba SC Holding AG (CH) 2005-03-23 EP disclosed
WO-2004000809-A1 CATIONIC ALKOXYAMINES AND THEIR USE IN PRODUCING NANO PARTICLES FROM NATURAL OR SYNTHETIC CLAYS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-12-31 WO 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-20090306382-A1 CATIONIC ALKOXYAMINES ALKBH2, ALKBH3, ALKBH5 ALDH1A1 2271/4885KMT2A 230/4885MEN1 3251/4885

“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.