Iodide

Iodide

SCHEMBL2040900

C[n+]1ccn(-c2ccc(Cl)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
HDAC8 Q9BY41 2/20 0.41
NOTUM Q6P988 3/20 0.40
ELANE P08246 2/20 0.32
POLB P06746 2/20 0.32
MGLL Q99685 1/20 0.31
PTPN1 P18031 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
CYP2A6 P11509 1/20 0.31
BIRC5 O15392 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) LMNAHTTATM
SCHEMBL12220256 0.88 LMNA (0.33) LMNAHTTATM
Iodide SCHEMBL2530877 0.84 QDPR (0.34) APOBEC3GLMNAALOX15
Iodide SCHEMBL14738436 0.82 F2 (0.34) NOTUMELANEPOLBMGLLTDP1
SCHEMBL12220215 0.82 QDPR (0.35) APOBEC3GLMNAALOX15
Iodide SCHEMBL14739461 0.81 NOTUM (0.32) NOTUMMGLLTUBB4ATUBBTUBA3C
Iodide SCHEMBL3820106 0.80 LMNA (0.40) POLBAPOBEC3GLMNAATM
Iodide SCHEMBL15993275 0.79 MGLL (0.39) POLBMGLLAPOBEC3GTDP1LMNA
Iodide SCHEMBL15993620 0.78 CYP1A2 (0.47) POLBMGLLTDP1LMNATUBB4A
SCHEMBL666881 0.78 LMNA (0.41) APOBEC3GLMNAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877937-B2 Process for preparing transition metal-carbene complexes BASF SE (DE) 2014-11-04 US disclosed
US-20130178621-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES BASF SE (DE) 2013-07-11 US disclosed
EP-2338593-B1 Process for the preparation of transition metal carbene complexes BASF SE (DE) 2013-06-19 EP disclosed
US-8410280-B2 Process for preparing transition metal-carbene complexes BASF SE (DE) 2013-04-02 US disclosed
EP-2338593-A1 Process for the preparation of transition metal carbene complexes BASF SE (DE) 2011-06-29 EP disclosed
EP-1819717-B1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF SE (DE) 2009-07-08 EP disclosed
US-20090018330-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES BASF SE (DE) 2009-01-15 US disclosed
EP-1993728-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES BASF SE (DE) 2008-11-26 EP disclosed
EP-1819717-A2 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF AKTIENGESELLSCHAFT (DE) 2007-08-22 EP disclosed
WO-2007088093-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES BASF SE (DE) 2007-08-09 WO disclosed
WO-2006056418-A2 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF AKTIENGESELLSCHAFT (DE) 2006-06-01 WO 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-20090018330-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES AP1M1, C1S, GPS1 HDAC8 4712/4885NOTUM 4568/4885ELANE 4115/4885
US-20130178621-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES AP1M1, C1S, GPS1 HDAC8 4712/4885NOTUM 4568/4885ELANE 4115/4885

“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.