Iodide

Iodide

SCHEMBL2333938

COc1cc[n+](CCCCCCCCCC[n+]2ccc(OC)c3ccccc32)c2ccccc12.[I-].[I-]

nearest known ligand 0.66

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
ACHE known ✓ P22303 1/20 0.46
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 3/20 0.48
HTT P42858 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
RAD52 P43351 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
RGS12 O14924 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
HSP90AA1 P07900 1/20 0.46
THRB P10828 1/20 0.46
MCL1 Q07820 1/20 0.46
BCHE P06276 1/20 0.46

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
SCHEMBL13686278 0.76 KDM4E (0.62) KDM4EBCHEACHE
Iodide SCHEMBL14739218 0.75 CHKA (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
Iodide SCHEMBL14738732 0.75 CHKA (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
Iodide SCHEMBL2329322 0.75 CHKA (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
Iodide SCHEMBL14739174 0.75 CHKA (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
Iodide SCHEMBL14740375 0.75 CHKA (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
Iodide SCHEMBL14739503 0.74 CHKA (0.58) KDM4EMEN1NPC1HTTRAB9A
SCHEMBL13645489 0.74 KDM4E (0.64) KDM4EHTTSMN1; SMN2BCHEACHE
Iodide SCHEMBL9292447 0.73 KDM4E (0.61) KDM4EMEN1NPC1HTTRAB9A
SCHEMBL17021411 0.73 CHKA (0.57) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190298841-A1 Nucleic Acid Complexes PROCARTA BIOSYSTEMS LTD (GB) 2019-10-03 US disclosed
US-9669101-B2 Nucleic acid complexes PROCARTA BIOSYSTEMS LTD (GB) 2017-06-06 US disclosed
US-9550991-B2 Transcription factor decoys PROCARTA BIOSYSTEMS LTD. (GB) 2017-01-24 US disclosed
US-20150196652-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2015-07-16 US disclosed
US-9024005-B2 Nucleic acid complexes PROCARTA BIOSYSTEMS LTD (GB) 2015-05-05 US disclosed
US-20140274800-A1 TRANSCRIPTION FACTOR DECOYS FOR THE TREATMENT AND PREVENTION OF INFECTIONS CAUSED BY BACTERIA INCLUDING CLOSTRIDIUM DIFFICILE PROCARTA BIOSYSTEMS LTD. (GB) 2014-09-18 US disclosed
US-20130252881-A1 Transcription Factor Decoys PROCARTA BIOSYSTEMS LTD. (GB) 2013-09-26 US disclosed
US-20130059775-A1 Nucleic Acid Complexes PROCARTA BIOSYSTEMS LTD (GB) 2013-03-07 US disclosed
WO-2011098829-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2011-08-18 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 (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-20190298841-A1 Nucleic Acid Complexes ZFR, SUB1, RELA ACHE 4834/4885KDM4E 1904/4885MEN1 4030/4885
US-20150196652-A1 NUCLEIC ACID COMPLEXES ZFR, SUB1, RELA ACHE 4834/4885KDM4E 1904/4885MEN1 4030/4885
US-20130059775-A1 Nucleic Acid Complexes ZFR, SUB1, RELA ACHE 4834/4885KDM4E 1904/4885MEN1 4030/4885

“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.