Iodide

Iodide

SCHEMBL6864478

CCCC[N+]1=C(C)C(C)(C)c2ccccc21.[I-]

nearest known ligand 0.52

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 4/20 0.52
APP P05067 1/20 0.52
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 4/20 0.46
THRB P10828 4/20 0.46
HTT P42858 4/20 0.46
RECQL P46063 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 3/20 0.36
ATM Q13315 1/20 0.36
PRMT1 Q99873 3/20 0.33
PTPN1 P18031 1/20 0.33
USP2 O75604 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
S1PR2 O95136 1/20 0.32
POLB P06746 1/20 0.32
ALPG P10696 1/20 0.32

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
Iodide SCHEMBL31552581 1.00 MAPT (0.52) MAPTAPPMEN1KMT2ALMNA
SCHEMBL6870013 0.98 MAPT (0.50) MAPTAPPMEN1KMT2ALMNA
Bromide SCHEMBL15105276 0.97 MAPT (0.49) MAPTAPPMEN1KMT2ALMNA
Iodide SCHEMBL21314819 0.94 MAPT (0.47) MAPTAPPMEN1KMT2ALMNA
Perchlorate SCHEMBL1405533 0.92 MAPT (0.46) MAPTAPPMEN1KMT2ALMNA
SCHEMBL112622 0.92 MAPT (0.45) MAPTAPPMEN1KMT2ALMNA
SCHEMBL13591490 0.92 MAPT (0.45) MAPTAPPMEN1KMT2ALMNA
SCHEMBL13365118 0.92 MAPT (0.45) MAPTAPPMEN1KMT2ALMNA
SCHEMBL20253062 0.92 MAPT (0.45) MAPTAPPMEN1KMT2ALMNA
SCHEMBL13592714 0.92 MAPT (0.45) MAPTAPPMEN1KMT2ALMNA

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 12 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-6821708-B2 COMPRISES 2-(3-(1,3-DIHYDRO-1,1-DIMETHYL-3(4'-METHOXY-CARBONYL)-BENZYL-2H-BENZ(E)INDOL-2-YLIDENE)-1-PROPENYL)-1,1-DIMETHYL-3-BUTYL-1H-INDOLIUM TETRACYANOQUINODIMETHANE FOR IMPROVED PHOTOSTABILITY/OXIDATION RESISTANCE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2004-11-23 US 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
US-20030138729-A1 Cyanine-TCNQ complex dye data storage media and manufacturing method thereof NATIONAL TSING HUA UNIVERSITY (TW) 2003-07-24 US disclosed
US-20030068577-A1 Novel cyanine-TCNQ dye for high density data storage media LIAO WEN-YIH (TW) 2003-04-10 US disclosed
EP-0517050-B1 Test-strip containing merocyanine and nitro or nitroso substituted polyhalogenated phenol-sulfonephthaleins as protein indicators BAYER AG (US) 1996-09-18 EP disclosed
EP-0517055-B1 Merocyanine protein error indicators BAYER AG (US) 1996-09-18 EP disclosed
US-5328850-A Merocyanine protein error indicators MILES INC. (US) 1994-07-12 US disclosed
US-5279790-A Analyzing test strip MILES INC. (US) 1994-01-18 US disclosed
US-5264589-A Merocyanine protein error indicators MILES INC. (US) 1993-11-23 US disclosed
EP-0517055-A1 Merocyanine protein error indicators Bayer Corporation (US) 1992-12-09 EP disclosed
EP-0517050-A2 Test-strip containing merocyanine and nitro or nitroso substituted polyhalogenated phenol-sulfonephthaleins as protein indicators Bayer Corporation (US) 1992-12-09 EP 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-20030068577-A1 Novel cyanine-TCNQ dye for high density data storage media KCNQ2, KCNQ4, KCNQ3 MAPT 2137/4885APP 1718/4885MEN1 1765/4885

“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.