Iodide

Iodide

SCHEMBL4885250

CC[n+]1c(C)ccc2cc(C)ccc21.[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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
KDM4E B2RXH2 9/20 0.49
LMNA P02545 7/20 0.49
HTT P42858 7/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
NPC1 O15118 6/20 0.47
POLB P06746 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPK1 P28482 4/20 0.47
NPSR1 Q6W5P4 4/20 0.47
ALPL P05186 3/20 0.47
ALPI P09923 3/20 0.47
ALPG P10696 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
BLM P54132 1/20 0.47
RAB9A P51151 5/20 0.46
HSP90AA1 P07900 4/20 0.46
ALDH1A1 P00352 4/20 0.46
RECQL P46063 3/20 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
SCHEMBL7936307 0.98 KDM4E (0.46) MAPTKDM4ELMNAHTTMEN1
SCHEMBL38654677 0.80 KDM4E (0.37) MAPTKDM4ELMNAHTTMEN1
SCHEMBL13652061 0.80 KDM4E (0.44) MAPTKDM4ELMNAHTTMEN1
SCHEMBL13651949 0.77 CYP2A6 (0.42) MAPTKDM4ELMNAHTTMEN1
Iodide SCHEMBL82245 0.77 ALDH1A1 (0.51) MAPTKDM4ELMNAHTTMEN1
SCHEMBL1049882 0.75 KDM4E (0.53) MAPTKDM4ELMNAHTTMEN1
SCHEMBL25672216 0.74 MEN1 (0.46) MAPTKDM4ELMNAHTTMEN1
Iodide SCHEMBL29227333 0.73 KDM4E (0.51) MAPTKDM4ELMNAHTTMEN1
Hydrochloric Acid SCHEMBL6333076 0.73 KDM4E (0.51) MAPTKDM4ELMNAHTTMEN1
Iodide SCHEMBL6660743 0.73 KDM4E (0.40) MAPTKDM4ELMNAHTTMEN1

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-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 US claimed
US-20080281105-A1 Novel Quinolinium Salts and Derivatives IMMUSOL INCORPORATED (US) 2008-11-13 US disclosed
EP-1841428-A1 NOVEL QUINOLINIUM SALTS AND DERIVATIVES Immusol Incorporated (US) 2007-10-10 EP disclosed
WO-2006078754-A1 NOVEL QUINOLINIUM SALTS AND DERIVATIVES IMMUSOL INCORPORATED (US) 2006-07-27 WO disclosed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 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-20080281105-A1 Novel Quinolinium Salts and Derivatives NQO2, MCL1, KRAS MAPT 2491/4885KDM4E 2336/4885LMNA 3339/4885

“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.