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SCHEMBL17835683

SCHEMBL17835683

COC(=O)c1ccc(OC(CN2CCCC2)c2ccccc2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 4/20 0.62
▸ OPRD1 P41143 2/20 0.49
▸ OPRK1 P41145 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MITF O75030 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 3/20 0.45
▸ MRGPRX1 Q96LB2 1/20 0.45
▸ ULK1 O75385 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ OPRM1 P35372 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
SCHEMBL17835684 1.00 NOX1 (0.62) NOX1OPRD1OPRK1ALDH1A1LMNA
SCHEMBL17835576 0.90 NOX1 (0.62) NOX1MAPTMRGPRX1MCHR1
SCHEMBL17835577 0.90 NOX1 (0.62) NOX1MAPTMRGPRX1MCHR1
SCHEMBL17835859 0.82 MAPT (0.51) NOX1CYP2D6MAPT
SCHEMBL17835860 0.82 MAPT (0.51) NOX1CYP2D6MAPT
SCHEMBL17835725 0.81 NOX1 (0.62) NOX1OPRD1OPRK1ALDH1A1LMNA
SCHEMBL17835726 0.81 NOX1 (0.62) NOX1OPRD1OPRK1ALDH1A1LMNA
SCHEMBL17835623 0.81 MAPT (0.50) NOX1ALDH1A1LMNASMN1; SMN2CYP2D6
SCHEMBL17835622 0.81 MAPT (0.50) NOX1ALDH1A1LMNASMN1; SMN2CYP2D6
SCHEMBL17835645 0.80 NOX1 (0.56) NOX1MAPT

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
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-3233847-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2017-10-25 — — EP disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 — — WO 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 NOX1 1/4885OPRD1 2430/4885OPRK1 3328/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB NOX1 1/4885OPRD1 2430/4885OPRK1 3328/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB NOX1 1/4885OPRD1 2430/4885OPRK1 3328/4885

“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.