SCHEMBL17835816

SCHEMBL17835816

COc1cc(C(=O)C(O)c2ccccc2)ccc1OC(CCN(C)C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.52
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NOX1 Q9Y5S8 2/20 0.43
SLC6A4 P31645 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL17835817 1.00 SLC6A9 (0.52) SLC6A9BCHEACHEKDM4EALDH1A1
SCHEMBL17835814 0.90 SLC6A9 (0.51) SLC6A9SLC6A4HRH3
SCHEMBL17835738 0.89 SLC6A9 (0.56) SLC6A9BCHEACHE
SCHEMBL17835590 0.89 SLC6A9 (0.56) SLC6A9BCHEACHE
SCHEMBL17835592 0.89 SLC6A9 (0.56) SLC6A9BCHEACHE
SCHEMBL17835802 0.87 SLC6A9 (0.56) SLC6A9NOX1SLC6A4
SCHEMBL17835801 0.87 SLC6A9 (0.56) SLC6A9NOX1SLC6A4
SCHEMBL28250188 0.81 CA12 (0.57) KDM4EALDH1A1
SCHEMBL6729778 0.78 SLC6A9 (0.64) SLC6A9SLC6A4HRH3
SCHEMBL5078074 0.78 SLC6A4 (0.59) SLC6A9SLC6A4HRH3

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-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 US disclosed
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-11-20 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
EP-3034500-A1 Amido thiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-06-22 EP 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-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB SLC6A9 4071/4885BCHE 1902/4885ACHE 1617/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB SLC6A9 4071/4885BCHE 1902/4885ACHE 1617/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB SLC6A9 4071/4885BCHE 1902/4885ACHE 1617/4885

“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.