SCHEMBL18384554

SCHEMBL18384554

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICAM1 P05362 3/20 0.42
▸ SELE P16581 3/20 0.42
▸ CCNC P24863 2/20 0.42
▸ CDK8 P49336 2/20 0.42
▸ VCAM1 P19320 1/20 0.42
▸ BRD9 Q9H8M2 2/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ CLK1 P49759 1/20 0.35
▸ MAOA P21397 2/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ HPGD P15428 4/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SYK P43405 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ HTT P42858 1/20 0.34

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 0.86 CCNC (0.39) ICAM1SELECCNCCDK8MAOA
SCHEMBL18384591 0.86 KDM4E (0.39) ICAM1SELECCNCCDK8VCAM1
SCHEMBL18384535 0.86 KDM4E (0.39) ICAM1SELECCNCCDK8VCAM1
SCHEMBL18384537 0.86 CCNC (0.39) ICAM1SELECCNCCDK8MAOA
SCHEMBL18384596 0.85 KDM4E (0.43) ICAM1SELECCNCCDK8VCAM1
SCHEMBL18384551 0.85 KDM4E (0.43) ICAM1SELECCNCCDK8VCAM1
SCHEMBL18384580 0.85 ICAM1 (0.46) ICAM1SELECCNCCDK8VCAM1
SCHEMBL18384584 0.85 MAOA (0.37) ICAM1SELECCNCCDK8MAOA
SCHEMBL18384545 0.81 CCNC (0.43) ICAM1SELECCNCCDK8MAOA
SCHEMBL18384512 0.77 BRD4 (0.41) ICAM1SELECCNCCDK8VCAM1

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 5 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
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 ICAM1 4380/4885SELE 3930/4885CCNC 1563/4885
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 ICAM1 4380/4885SELE 3930/4885CCNC 1563/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR ICAM1 4405/4885SELE 3855/4885CCNC 1741/4885

“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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