Iodide

Iodide

SCHEMBL2408901

C[n+]1ccc(CCN2C(=O)COC2=O)cc1.[I-]

nearest known ligand 0.36

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 1/20 0.34
MAPT P10636 3/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
BCHE P06276 1/20 0.34
PIK3CG P48736 5/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL1379949 0.98 MAPT (0.37) MAPTGAAKMT2AHSD17B10MEN1
SCHEMBL5164873 0.80 KMT2A (0.57) MAPTGAAKMT2AHSD17B10MEN1
SCHEMBL2773403 0.78 PIK3CG (0.46) MAPTGAAKMT2AHSD17B10MEN1
SCHEMBL1383308 0.77 HRH3 (0.45) MAPTGAAKMT2AHSD17B10MEN1
SCHEMBL5145629 0.77 GSK3A (0.59) MAPTKMT2AMEN1L3MBTL1ALDH1A1
Iodide SCHEMBL2416557 0.76 HSD17B10 (0.35) MAPTGAAKMT2AHSD17B10MEN1
SCHEMBL1381651 0.74 HSD17B10 (0.35) MAPTGAAKMT2AHSD17B10MEN1
SCHEMBL2773255 0.73 PIK3CG (0.49) MAPTALDH1A1CYP3A4CYP2C9PKM
SCHEMBL2772180 0.73 ALDH1A1 (0.49) ALDH1A1PIK3CG
Iodide SCHEMBL2410863 0.73 TP53 (0.36) KMT2AMEN1L3MBTL1MGLLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720829-B1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2009-10-14 EP claimed
US-20070021426-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2007-01-25 US claimed
US-20110237595-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-20100069405-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 US disclosed
US-7645757-B2 Derivatives of heteroaryl-alkylcarbamates, methods for their preparation and use thereof as fatty acid amido hydrolase enzyme inhibitors SANOFI-AVENTIS (FR) 2010-01-12 US disclosed
US-20070021426-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2007-01-25 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 (3 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-20110237595-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR1 ACHE 140/4885MAPT 4308/4885GAA 1409/4885
US-20100069405-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR1 ACHE 140/4885MAPT 4308/4885GAA 1409/4885
US-20070021426-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR2 ACHE 355/4885MAPT 4574/4885GAA 1243/4885

“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.