Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL3852937

Cc1ccc2cc([N+](=O)[O-])ccc2[n+]1C.[I-]

nearest known ligand 0.47

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
▸ ACHE known ✓ P22303 2/20 0.40
▸ MAPT P10636 6/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TSHR P16473 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ CYP3A4 P08684 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.40
▸ HTT P42858 2/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ NPBWR1 P48145 2/20 0.37
▸ NOS1 P29475 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL9738051 0.82 TSHR (0.46) MAPTSMN1; SMN2LMNAKDM4ETSHR
SCHEMBL10257319 0.72 ACHE (0.50) MAPTLMNAKDM4ETSHRALDH1A1
SCHEMBL28122579 0.72 TSHR (0.59) MAPTSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL10167906 0.71 CYP1A2 (0.50) MAPTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL3829978 0.70 TSHR (0.56) MAPTSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL9719279 0.70 ACHE (0.61) MAPTSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL745015 0.69 TSHR (0.43) MAPTSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL28326813 0.69 MAPT (0.41) MAPTSMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL15763574 0.69 TSHR (0.42) MAPTSMN1; SMN2LMNAKDM4ETSHR
SCHEMBL28338203 0.68 TSHR (0.54) MAPTSMN1; SMN2LMNATSHRALDH1A1

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-8378120-B2 Method and reagent for measuring nitroreductase enzyme activity GE HEALTHCARE UK LIMITED (GB) 2013-02-19 — — US disclosed
US-20090325209-A1 METHOD AND REAGENT FOR MEASURING NITROREDUCTASE ENZYME ACTIVITY GE HEALTHCARE UK LIMITED (GB) 2009-12-31 — — US disclosed
US-7579140-B2 Method and reagent for measuring nitroreductase enzyme activity GE HEALTHCARE UK LIMITED (GB) 2009-08-25 — — US disclosed
US-20080317674-A1 Method and Reagent for Measuring Nitroreductase Enzyme Activity GE HEALTHCARE UK LIMITED (GB) 2008-12-25 — — 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-20090325209-A1 METHOD AND REAGENT FOR MEASURING NITROREDUCTASE ENZYME ACTIVITY CBR3, CBR1, ADH7 ACHE 778/4885MAPT 4857/4885SMN1; SMN2 2496/4885
US-20080317674-A1 Method and Reagent for Measuring Nitroreductase Enzyme Activity CBR3, CBR1, SQOR ACHE 776/4885MAPT 4851/4885SMN1; SMN2 2078/4885

“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.