SCHEMBL17835598

SCHEMBL17835598

COC(=O)c1ccc(OC(C)c2ccccn2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 4/20 0.58
MAPT P10636 2/20 0.50
BRD4 O60885 6/20 0.49
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
BRD2 P25440 1/20 0.46
KCNH2 Q12809 1/20 0.46
BRD3 Q15059 1/20 0.46
ALOX15 P16050 1/20 0.44
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 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
SCHEMBL17835600 1.00 NOX1 (0.58) NOX1MAPTBRD4KMT2AKDM4E
SCHEMBL17835838 0.89 NOX1 (0.56) NOX1MAPTBRD4KMT2AKDM4E
SCHEMBL17835840 0.89 NOX1 (0.56) NOX1MAPTBRD4KMT2AKDM4E
SCHEMBL8890302 0.88 BRD4 (0.47) NOX1MAPTBRD4KDM4EHTT
SCHEMBL3647221 0.81 MAPT (0.57) MAPTBRD4KMT2AKDM4ERAB9A
SCHEMBL17835865 0.81 MAPT (0.56) NOX1MAPTKMT2ARAB9ANPC1
SCHEMBL17835866 0.81 MAPT (0.56) NOX1MAPTKMT2ARAB9ANPC1
SCHEMBL6568018 0.77 MAPT (0.66) MAPTKMT2AKDM4ERAB9ANPC1
SCHEMBL31373878 0.77 KMO (0.46) NOX1BRD4KMT2AKDM4ERAB9A
SCHEMBL17835671 0.77 NOX1 (0.80) NOX1

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 NOX1 1/4885MAPT 1444/4885BRD4 1979/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB NOX1 1/4885MAPT 1444/4885BRD4 1979/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB NOX1 1/4885MAPT 1444/4885BRD4 1979/4885

“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.