SCHEMBL18384545

SCHEMBL18384545

COc1c2cnccc2c(OC)c2sc(C(=O)C3CC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.43
▸ CDK8 P49336 2/20 0.43
▸ GSK3A P49840 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ STING1 Q86WV6 2/20 0.34
▸ MAOA P21397 2/20 0.34
▸ ACHE P22303 3/20 0.33
▸ ELANE P08246 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33

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
SCHEMBL18384600 0.84 CCNC (0.39) CCNCCDK8GSK3BMAOAALDH1A1
SCHEMBL18384535 0.84 KDM4E (0.39) CCNCCDK8GSK3AGSK3BMAOA
SCHEMBL18384591 0.84 KDM4E (0.39) CCNCCDK8GSK3AGSK3BMAOA
SCHEMBL18384537 0.84 CCNC (0.39) CCNCCDK8GSK3BMAOAALDH1A1
SCHEMBL18384580 0.83 ICAM1 (0.46) CCNCCDK8GSK3AGSK3BABL1
SCHEMBL18384596 0.83 KDM4E (0.43) CCNCCDK8GSK3AGSK3BMAOA
SCHEMBL18384584 0.83 MAOA (0.37) CCNCCDK8GSK3BMAOAALDH1A1
SCHEMBL18384551 0.83 KDM4E (0.43) CCNCCDK8GSK3AGSK3BMAOA
SCHEMBL18384554 0.81 ICAM1 (0.42) CCNCCDK8MAOAALDH1A1HSD17B10
SCHEMBL18384595 0.77 HPGD (0.48) ALDH1A1HSD17B10KDM4EGLAGAA

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-10934309-B2 Tricyclic quinone derivative SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-03-02 — — US disclosed
US-20190241583-A1 NEW TRICYCLIC QUINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. 2019-08-08 — — US disclosed
EP-3127907-A1 NEW TRICYCLIC QUINONE DERIVATIVE Boston Biomedical, Inc. (US) 2017-02-08 — — EP disclosed
EP-3127907-A1 NEW TRICYCLIC QUINONE DERIVATIVE Boston Biomedical, Inc. (US) 2017-02-08 — — EP disclosed
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE BOSTON BIOMEDICAL, INC. (US) 2017-01-19 — — US disclosed
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE BOSTON BIOMEDICAL, INC. (US) 2017-01-19 — — US 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-20190241583-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 CCNC 1563/4885CDK8 3030/4885GSK3A 3653/4885
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 CCNC 1563/4885CDK8 3030/4885GSK3A 3653/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR CCNC 1741/4885CDK8 3412/4885GSK3A 3616/4885

“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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