Iodide

Iodide

SCHEMBL4701241

CC1=[N+](C)c2ccc(O)cc2C1(C)C.[I-]

nearest known ligand 0.42

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 0.30
MEN1 O00255 5/20 0.42
MAPT P10636 5/20 0.42
THRB P10828 5/20 0.42
KMT2A Q03164 5/20 0.42
RECQL P46063 4/20 0.42
LMNA P02545 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
HTT P42858 3/20 0.42
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
RAB9A P51151 3/20 0.40
S1PR4 O95977 2/20 0.40
ALPG P10696 2/20 0.40
PKM P14618 2/20 0.40
S1PR1 P21453 2/20 0.40
NTSR1 P30989 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL15315509 0.98 MEN1 (0.40) MEN1MAPTTHRBKMT2ARECQL
SCHEMBL22169605 0.84 MAPT (0.37) MEN1MAPTTHRBKMT2ARECQL
SCHEMBL2614422 0.79 THRB (0.59) MEN1MAPTTHRBKMT2ARECQL
Iodide SCHEMBL6832522 0.79 MEN1 (0.42) MEN1MAPTTHRBKMT2ARECQL
Iodide SCHEMBL5462950 0.78 MEN1 (0.43) MEN1MAPTTHRBKMT2ARECQL
Iodide SCHEMBL7033663 0.77 MEN1 (0.43) MEN1MAPTTHRBKMT2ARECQL
SCHEMBL16696020 0.76 MEN1 (0.40) MEN1MAPTTHRBKMT2ARECQL
SCHEMBL3961483 0.76 TDP1 (0.40) MEN1MAPTTHRBKMT2ARECQL
Iodide SCHEMBL6332980 0.76 LMNA (0.41) MEN1MAPTTHRBKMT2ARECQL
SCHEMBL559919 0.75 LMNA (0.36) MEN1MAPTTHRBKMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040648-B2 Polymer compositions containing mechanochromic polymers PPG INDUSTRIES OHIO, INC. (US) 2015-05-26 US disclosed
US-8889807-B2 Controlled radical polymerization initiators PPG INDUSTRIES OHIO, INC. (US) 2014-11-18 US disclosed
WO-2014151543-A1 CONTROLLED RADICAL POLYMERIZATION INITIATORS PPG INDUSTRIES OHIO, INC. (US) 2014-09-25 WO disclosed
US-20130273380-A1 CONTROLLED RADICAL POLYMERIZATION INITIATORS PPG INDUSTRIES OHIO, INC.. 2013-10-17 US disclosed
US-20130274412-A1 POLYMER COMPOSITIONS CONTAINING MECHANOCHROMIC POLYMERS PPG INDUSTRIES OHIO, INC. 2013-10-17 US disclosed
EP-1560893-A4 PHOTOCHROMIC COMPOSITIONS AND LIGHT TRANSMISSIBLE ARTICLES POLYMERS AUSTRALIA PTY LTD (AU) 2008-06-04 EP disclosed
US-6977001-B2 Dye compositions containing quinolinium salts WELLA AG (DE) 2005-12-20 US disclosed
EP-1560893-A1 PHOTOCHROMIC COMPOSITIONS AND LIGHT TRANSMISSIBLE ARTICLES Polymers Australia PTY Limited (AU) 2005-08-10 EP disclosed
US-6835212-B2 Compound with a nucleophilic reaction center, aryl alcohol or benzyl alcohol derivatives and an oxidizing enzyme WELLA AKTIENGESELLSCHAFT (DE) 2004-12-28 US disclosed
US-6740128-B2 BLEND CONTAINING ENAMINE AND ALKALINE MIXTURE OF ALDEHYDE AND PRIMARY AMINE WELLA AKTIENGESELLSCHAFT (DE) 2004-05-25 US disclosed
WO-2004041961-A1 PHOTOCHROMIC COMPOSITIONS AND LIGHT TRANSMISSIBLE ARTICLES POLYMERS AUSTRALIA PTY LIMITED (AU) 2004-05-21 WO disclosed
US-6669739-B2 Agent for coloring fibers and method for temporarily coloring fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-12-30 US disclosed
US-6652601-B2 For dyeing and subsequently decolorizing fibers such as keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-11-25 US disclosed
US-20030177592-A1 Dye compositions containing quinolinium salts HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-25 US disclosed
US-20030101520-A1 Agent for coloring fibers WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-05 US disclosed
US-20030079301-A1 Agent for dyeing fibers comprising an indoline/indolium derivative WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-05-01 US disclosed
US-20030041391-A1 Agent and method for dyeing keratin fibres Wella GmbH (DE) 2003-03-06 US disclosed
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-11-21 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 (4 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-20030079301-A1 Agent for dyeing fibers comprising an indoline/indolium derivative IDO1, IDO2, KIT ACHE 18/4885MEN1 1860/4885MAPT 1104/4885
US-20030101520-A1 Agent for coloring fibers COL1A1, ENO1, H1-5 ACHE 2050/4885MEN1 996/4885MAPT 960/4885
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers ENO1, H1-5, H1-2 ACHE 519/4885MEN1 1144/4885MAPT 1635/4885
US-20030041391-A1 Agent and method for dyeing keratin fibres KRT18, AKR7A2, ADH5 ACHE 338/4885MEN1 4837/4885MAPT 844/4885

“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.