Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL14738436

Cc1ccc(-n2cc[n+](C)c2)cc1.[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 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE known ✓ P22303 1/20 0.32
▸ F2 P00734 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ CTSG P08311 1/20 0.34
▸ CMA1 P23946 1/20 0.34
▸ CTRC Q99895 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ ADRB1 P08588 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ POLB P06746 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ MCL1 Q07820 1/20 0.30
▸ LMNA P02545 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 0.92 LMNA (0.33) MEN1KMT2AMAPTRECQLBLM
SCHEMBL12220256 0.89 LMNA (0.33) MEN1KMT2AMAPTRECQLBLM
Iodide SCHEMBL2530877 0.86 QDPR (0.34) MEN1KMT2ALMNA
SCHEMBL12220215 0.83 QDPR (0.35) MEN1KMT2ALMNA
Iodide SCHEMBL2040900 0.82 HDAC8 (0.41) ELANENOTUMMGLLTDP1POLB
Iodide SCHEMBL14739461 0.82 NOTUM (0.32) NOTUMMGLLACHEMEN1KMT2A
Iodide SCHEMBL3820106 0.82 LMNA (0.40) MEN1POLBKMT2AMAPTRECQL
Iodide SCHEMBL15993275 0.81 MGLL (0.39) MGLLTDP1MEN1POLBKMT2A
Iodide SCHEMBL15993620 0.79 CYP1A2 (0.47) MGLLTDP1ACHEADRB1MEN1
SCHEMBL666881 0.79 LMNA (0.41) MEN1KMT2AMAPTRECQLBLM

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 3 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
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 558/4885F2 1219/4885ELANE 1846/4885
US-20170054094-A1 Transition Metal Carbene Complexes and the Electroluminescent Application Thereof MB, CYBA, L1CAM ACHE 732/4885F2 873/4885ELANE 1495/4885

“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.