SCHEMBL17835490

SCHEMBL17835490

O=C(O)c1cncc(OCC2CCOCC2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.48
▸ SCN9A Q15858 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ DGAT1 O75907 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ KMO O15229 2/20 0.37
▸ PDE4D Q08499 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ GRM4 Q14833 5/20 0.36
▸ DHFR P00374 1/20 0.36
▸ DCPS Q96C86 1/20 0.36

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
SCHEMBL22262501 0.75 XDH (0.49) XDHSCN9AKDM4CPTGER1PIM1
SCHEMBL17850741 0.74 XDH (0.56) XDHSCN9AKDM4CPTGER1KMO
SCHEMBL17835489 0.74 KDM4C (0.43) XDHSCN9AKDM4CPTGER1CYP11B2
SCHEMBL20476485 0.74 ALDH1A1 (0.50) XDHPTGER1CNR2DHFRDCPS
SCHEMBL23022111 0.70 KDM4E (0.45) XDHSCN9AKDM4CPIM1PIM3
SCHEMBL20476411 0.69 XDH (0.46) XDHSCN9APTGER1
SCHEMBL22262263 0.68 XDH (0.44) XDHSCN9APTGER1PIM1PIM2
SCHEMBL31080672 0.67 ATXN2 (0.41) XDHPIM1CYP11B2PDE4DIRAK4
SCHEMBL23022110 0.67 MELK (0.41) XDHKDM4CPIM1PIM3PIM2
SCHEMBL840900 0.67 XDH (0.54) XDH

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 XDH 9/4885SCN9A 1449/4885KDM4C 4494/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB XDH 9/4885SCN9A 1449/4885KDM4C 4494/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB XDH 9/4885SCN9A 1449/4885KDM4C 4494/4885

“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.

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