Iodide

Iodide

SCHEMBL951481

I.c1ccc(CC(NC2=NCCN2)c2ccccc2)cc1

nearest known ligand 0.51

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
▸ KDM4E B2RXH2 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ NISCH Q9Y2I1 8/20 0.48
▸ MAOA P21397 7/20 0.48
▸ MAOB P27338 7/20 0.48
▸ ADRA2A P08913 5/20 0.43
▸ ADRA2B P18089 4/20 0.43
▸ ADRA2C P18825 4/20 0.43
▸ ADRA1A P35348 3/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.43
▸ ADRA1D P25100 2/20 0.43
▸ ADRA1B P35368 2/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL949042 0.99 KDM4E (0.52) KDM4EHTTNPSR1L3MBTL1CYP1A2
SCHEMBL4788335 0.92 CYP1A2 (0.48) KDM4EHTTNPSR1L3MBTL1CYP1A2
SCHEMBL4788401 0.89 KDM4E (0.44) KDM4EHTTNPSR1L3MBTL1CYP1A2
SCHEMBL4788615 0.89 PTGIR (0.44) KDM4EHTTNPSR1L3MBTL1CYP1A2
SCHEMBL4788602 0.89 NISCH (0.44) KDM4EHTTNPSR1L3MBTL1CYP1A2
SCHEMBL4785397 0.89 PTGIR (0.47) KDM4EHTTNPSR1L3MBTL1CYP1A2
SCHEMBL12637713 0.88 CYP1A2 (0.58) KDM4EHTTNPSR1L3MBTL1CYP1A2
SCHEMBL4787326 0.88 CYP1A2 (0.58) KDM4EHTTNPSR1L3MBTL1CYP1A2
Iodide SCHEMBL949559 0.88 WDR5 (0.46) KDM4EHTTNPSR1L3MBTL1CYP1A2
SCHEMBL4114349 0.86 WDR5 (0.48) KDM4EHTTNPSR1L3MBTL1CYP1A2

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-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

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 KDM4E 2092/4885HTT 3597/4885NPSR1 2421/4885

“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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