SCHEMBL17835591

SCHEMBL17835591

COc1cc(C(=O)O)ccc1CN1Cc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
POLB P06746 2/20 0.52
ACHE P22303 1/20 0.51
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TTR P02766 1/20 0.48
PLA2G4A P47712 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER2 P43116 1/20 0.47

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
SCHEMBL17835560 0.88 KDM4E (0.54) KDM4EPOLBACHEMEN1KMT2A
SCHEMBL14232144 0.85 KDM4E (0.57) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL385057 0.84 KDM4E (0.56) KDM4EPOLBMEN1KMT2AALDH1A1
Lithium SCHEMBL385059 0.84 KDM4E (0.56) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL221544 0.82 KMT2A (0.60) KDM4EPOLBCA12CA1CA2
Hydrochloric Acid SCHEMBL6174627 0.81 L3MBTL1 (0.62) POLBCA12CA1CA2CA4
SCHEMBL221039 0.79 KCNJ1 (0.54) KDM4EPOLBCA12CA1CA2
Hydrochloric Acid SCHEMBL4902833 0.78 KCNJ1 (0.53) KDM4ECA12CA1CA2CA4
SCHEMBL5506172 0.77 KDM4E (0.48) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL5111329 0.77 POLB (0.48) KDM4EPOLBAGTR1AGTR2CA12

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 11 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
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.