Iodide

Iodide

SCHEMBL14739461

C[n+]1ccn(-c2ccc(F)cc2)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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.30
NOTUM Q6P988 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
MGLL Q99685 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
HSD11B1 P28845 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30

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 SCHEMBL2535721 0.90 LMNA (0.33) MEN1MAPTKMT2A
SCHEMBL12220256 0.88 LMNA (0.33) MEN1MAPTKMT2A
Iodide SCHEMBL2530877 0.84 QDPR (0.34) MEN1KMT2A
Iodide SCHEMBL14738436 0.82 F2 (0.34) NOTUMMEN1ALDH1A1MAPTKMT2A
SCHEMBL12220215 0.82 QDPR (0.35) MEN1KMT2A
Iodide SCHEMBL2040900 0.81 HDAC8 (0.41) NOTUMALDH1A1MGLLTUBB4ATUBB
Iodide SCHEMBL3820106 0.80 LMNA (0.40) MEN1MAPTKMT2A
Iodide SCHEMBL15993275 0.79 MGLL (0.39) MEN1ALDH1A1MAPTKMT2AMGLL
Iodide SCHEMBL15993620 0.78 CYP1A2 (0.47) MEN1ALDH1A1MAPTPKMKMT2A
SCHEMBL666881 0.78 LMNA (0.41) MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170054094-A1 Transition Metal Carbene Complexes and the Electroluminescent Application Thereof NATIONAL TSING HUA UNIVERSITY (TW) 2017-02-23 US disclosed
US-9518217-B2 Transition metal carbene complexes and the electroluminescent application thereof E INK HOLDINGS INC. (TW) 2016-12-13 US disclosed
CN-102977150-A Transition metal complex structure containing carbene ligand and application thereof in luminescent material CHENG CHIEN-HONG 2013-03-20 CN disclosed
US-20130056716-A1 TRANSITION METAL CARBENE COMPLEXES AND THE ELECTROLUMINESCENT APPLICATION THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2013-03-07 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 (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-20130056716-A1 TRANSITION METAL CARBENE COMPLEXES AND THE ELECTROLUMINESCENT APPLICATION THEREOF L1CAM, MB, CYBA ACHE 558/4885NOTUM 4551/4885MEN1 2166/4885
US-20170054094-A1 Transition Metal Carbene Complexes and the Electroluminescent Application Thereof MB, CYBA, L1CAM ACHE 732/4885NOTUM 4490/4885MEN1 1600/4885

“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.