SCHEMBL17835560

SCHEMBL17835560

COC(=O)c1ccc(CN2Cc3ccccc3C2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.51
ACHE P22303 1/20 0.50
LMNA P02545 1/20 0.48
NAMPT P43490 4/20 0.47
MAPT P10636 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL17835591 0.88 KDM4E (0.55) KDM4EPOLBACHENAMPTHDAC6
SCHEMBL12659950 0.85 MAPT (0.44) KDM4ELMNANAMPTMAPTALDH1A1
SCHEMBL383102 0.85 KDM4E (0.56) KDM4EPOLBNAMPTALDH1A1SMN1; SMN2
SCHEMBL2624494 0.83 L3MBTL1 (0.59) KDM4ELMNAMAPTALDH1A1MEN1
SCHEMBL221971 0.80 SMN1; SMN2 (0.56) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL19471902 0.79 TLR7 (0.47) KDM4EPOLBLMNAMAPTALDH1A1
SCHEMBL15033008 0.78 ALDH1A1 (0.50) KDM4EPOLBLMNAMAPTALDH1A1
SCHEMBL1205833 0.76 ACACB (0.55) POLBACHEMAPTHDAC6ALDH1A1
SCHEMBL8429886 0.76 MAPT (0.60) KDM4EPOLBLMNAMAPTHDAC6
SCHEMBL25205503 0.76 MEN1 (0.59) KDM4EACHEMAPTALDH1A1SMN1; 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 12 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-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
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 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
CN-107207489-A It is used as the acylamino- thiadiazoles derivative of nadph oxidase inhibitor 吉恩基奥泰克斯瑞士股份有限公司 2017-09-26 CN disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO 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
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 KDM4E 4240/4885POLB 1003/4885ACHE 1617/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB KDM4E 4240/4885POLB 1003/4885ACHE 1617/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB KDM4E 4240/4885POLB 1003/4885ACHE 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.