SCHEMBL17816675

SCHEMBL17816675

c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc3C43c4ccccc4-c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.35
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDK2 Q15119 1/20 0.31

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
SCHEMBL14681531 0.96 TSPO (0.37) TSPOKDM4EATML3MBTL1
SCHEMBL30100129 0.96 TSPO (0.37) TSPOKDM4EATML3MBTL1
SCHEMBL17816735 0.96 TSPO (0.37) TSPOKDM4EATML3MBTL1
SCHEMBL19598819 0.96 KDM4E (0.36) TSPOKDM4EATML3MBTL1
SCHEMBL15892485 0.95 TSPO (0.35) TSPOKDM4EATML3MBTL1
SCHEMBL19011177 0.95 TSPO (0.35) TSPOKDM4EATML3MBTL1
SCHEMBL16810660 0.95 TSPO (0.36) TSPOKDM4EATML3MBTL1
SCHEMBL19001694 0.94 KDM4E (0.33) TSPOKDM4EATML3MBTL1PDK2
SCHEMBL15892447 0.94 TSPO (0.37) TSPOKDM4EATML3MBTL1
SCHEMBL15892468 0.94 TSPO (0.32) TSPOPDK2

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-10573818-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-02-25 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
WO-2016087017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-09 WO 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 (2 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-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, LEF1, EFNA1 TSPO 1795/4885KDM4E 2668/4885ATM 3782/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 TSPO 1795/4885KDM4E 2668/4885ATM 3782/4885

“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.