Iodide

Iodide

SCHEMBL949559

Clc1cccc(CC(NC2=NCCN2)c2ccccc2)c1.I

nearest known ligand 0.46

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
▸ WDR5 P61964 4/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NISCH Q9Y2I1 8/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ KCNN3 Q9UGI6 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ ADRA2B P18089 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ ADRA1D P25100 2/20 0.39
▸ ADRA1A P35348 2/20 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
SCHEMBL14042330 0.99 SLC6A2 (0.46) WDR5SLC6A2SLC6A4NPSR1L3MBTL1
SCHEMBL4114349 0.92 WDR5 (0.48) WDR5SLC6A2SLC6A4NPSR1L3MBTL1
Iodide SCHEMBL951481 0.88 KDM4E (0.51) NPSR1L3MBTL1KDM4EHTTNISCH
SCHEMBL949042 0.86 KDM4E (0.52) NPSR1L3MBTL1KDM4EHTTNISCH
SCHEMBL4788615 0.85 PTGIR (0.44) SLC6A2SLC6A4NPSR1L3MBTL1KDM4E
SCHEMBL4785397 0.85 PTGIR (0.47) WDR5NPSR1L3MBTL1KDM4EHTT
SCHEMBL4106896 0.85 WDR5 (0.48) WDR5SLC6A2SLC6A4NPSR1NISCH
SCHEMBL4786568 0.85 HTR1B (0.49) WDR5SLC6A2SLC6A4NPSR1L3MBTL1
SCHEMBL4788583 0.85 NISCH (0.43) NPSR1L3MBTL1KDM4EHTTNISCH
SCHEMBL3431450 0.82 WDR5 (0.46) WDR5NPSR1KDM4ENISCHCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871960-B2 1-(Imidazolin-2-yl)amino-1,2-diphenylethane compounds for combating animal pests BASF SE (DE) 2011-01-18 — — US disclosed
EP-1888533-B1 1-(IMIDAZOLIN-2-YL)AMINO-1,2-DIPHENYLETHANE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2010-12-15 — — EP disclosed
US-20080200335-A1 1-(Imidazolin-2-Yl)Amino-1,2-Diphenylethane Compounds For Combating Animal Pests BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 — — US disclosed
EP-1888533-A1 1-(IMIDAZOLIN-2-YL)AMINO-1,2-DIPHENYLETHANE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 — — EP disclosed
WO-2006125748-A1 1-(IMIDAZOLIN-2-YL)AMINO-1,2-DIPHENYLETHANE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 — — 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 (1 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-20080200335-A1 1-(Imidazolin-2-Yl)Amino-1,2-Diphenylethane Compounds For Combating Animal Pests ANXA1, ANXA11, AGO2 WDR5 2593/4885SLC6A2 2618/4885SLC6A4 4090/4885

“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.

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