Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL3417005

C[N+](C)(C)CCCc1cc(-c2cccs2)[nH]c1C=O.[I-]

nearest known ligand 0.35

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
▸ CHRM1 known ✓ P11229 2/20 0.32
▸ CHRM3 known ✓ P20309 2/20 0.32
▸ GAA P10253 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ PARP1 P09874 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ ERN1 O75460 2/20 0.31

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
SCHEMBL9908180 0.99 CCNB2 (0.34) GAAGFERPARP1PTGER2KDM4E
SCHEMBL3419310 0.82 HTR1D (0.40) PARP1KDM4EPIM1CCNB2CDK1
Iodide SCHEMBL3417478 0.80 RAB9A (0.39) GAAKDM4EMAPTCHRM2CHRM1
SCHEMBL9908159 0.79 RAB9A (0.40) GAAKDM4EMAPTCHRM2CHRM1
SCHEMBL9908170 0.77 CHRM2 (0.32) CHRM2CHRM1CHRM3
SCHEMBL9908185 0.76 PTGER2 (0.34) PTGER2KMT2A
Iodide SCHEMBL3420768 0.74 CHRM2 (0.41) KDM4ECCNB2CDK1CCNB1GSK3B
SCHEMBL13103072 0.74 MCL1 (0.33) GAAGFERPTGER2KDM4EMAPT
Iodide SCHEMBL3433760 0.74 CHRM2 (0.35) CHRM2CHRM1CHRM3
SCHEMBL13103087 0.72 CHRM2 (0.41) KDM4ECCNB2CDK1CCNB1GSK3B

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-20140186875-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSIS MONTANA STATE UNIVERSITY (US) 2014-07-03 — — US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 — — US disclosed
EP-2164997-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES Montana State University (US) 2010-03-24 — — EP disclosed
WO-2009005871-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2009-01-08 — — 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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES PTMS, CHAMP1, RAB5IF CHRM1 4321/4885CHRM3 3797/4885GAA 1508/4885

“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.