Iodide

Iodide

SCHEMBL2195243

CN1C=CN(Cc2ccccc2)C1.I

nearest known ligand 0.44

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 17)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.38
MC4R P32245 1/20 0.44
SIGMAR1 Q99720 3/20 0.42
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
FUCA1 P04066 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.37
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
CTRC Q99895 1/20 0.36

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
SCHEMBL667066 0.98 MC4R (0.46) MC4RSIGMAR1LMNAPOLBFUCA1
Bromide SCHEMBL1179198 0.96 MC4R (0.44) MC4RSIGMAR1LMNAPOLBFUCA1
Hydrochloric Acid SCHEMBL383001 0.96 MC4R (0.44) MC4RSIGMAR1LMNAPOLBFUCA1
Hydrochloric Acid SCHEMBL29151738 0.94 MC4R (0.43) MC4RSIGMAR1LMNAPOLBFUCA1
Fluoride SCHEMBL27662151 0.94 MC4R (0.43) MC4RSIGMAR1LMNAPOLBFUCA1
Ethylene SCHEMBL28111859 0.94 MC4R (0.43) MC4RSIGMAR1LMNAPOLBFUCA1
Bromide SCHEMBL6888623 0.94 MC4R (0.43) MC4RSIGMAR1LMNAPOLBFUCA1
SCHEMBL31438861 0.93 MC4R (0.42) MC4RSIGMAR1LMNAPOLBFUCA1
SCHEMBL29897966 0.93 MC4R (0.42) MC4RSIGMAR1LMNAPOLBFUCA1
Bicarbonate SCHEMBL28977799 0.91 NOTUM (0.41) MC4RSIGMAR1LMNAPOLBFUCA1

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-8980875-B2 Platinum-N-heterocyclic carbene derivatives, preparation thereof and therapeutic use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-17 US disclosed
US-20130338128-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-12-19 US disclosed
US-8481522-B2 Platinum-N-heterocyclic carbene derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-07-09 US disclosed
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-14 US disclosed
US-5098707-A Thioimidazolium salts as anticoagulants for platelet aggregation inhibitors MERCK & CO., INC. (US) 1992-03-24 US disclosed
US-5030644-A Thrombolytic, fibrinolytic therapy MERCK & CO., INC. (US) 1991-07-09 US disclosed
EP-0411705-A1 Imidazole compounds and their use as transglutaminase inhibitors MERCK & CO. INC. (US) 1991-02-06 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 (2 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-20130338128-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 ACHE 3731/4885MC4R 3322/4885SIGMAR1 259/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 ACHE 3731/4885MC4R 3322/4885SIGMAR1 259/4885

“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.