SCHEMBL21397936

SCHEMBL21397936

O=C(c1cccc(-c2ccccc2)c1)c1nc(C(=O)c2cccc(-c3ccccc3)c2)nc(C(=O)c2nc(C(=O)c3cccc(-c4ccccc4)c3)nc(C(=O)c3cccc(-c4ccc(-c5ccc(-c6ccccc6C(=O)c6nc(C(=O)c7nc(C(=O)c8ccccc8-c8ccccc8)nc(C(=O)c8ccccc8-c8ccccc8)n7)nc(C(=O)c7ccccc7-c7ccccc7)n6)cc5)cc4)c3)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.45
HDAC8 Q9BY41 1/20 0.42
BCAT2 O15382 1/20 0.41
CYP2C8 P10632 1/20 0.40
UCHL5 Q9Y5K5 1/20 0.40
GSTA1 P08263 1/20 0.40
PDK2 Q15119 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
ATM Q13315 2/20 0.40
CDC25B P30305 1/20 0.40
HNF4A P41235 1/20 0.40
HSD17B14 Q9BPX1 1/20 0.39
GRM5 P41594 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL20696596 0.92 CDC25B (0.46) KMOBCAT2GSTA1ATMCDC25B
SCHEMBL134273 0.87 KMO (0.58) KMOHDAC8ATMGRM5ERCC5
SCHEMBL134021 0.85 BCAT2 (0.55) BCAT2HNF4AMEN1KMT2ASMN1; SMN2
SCHEMBL21845489 0.80 KMO (0.50) KMOHDAC8ATMGRM5ERCC5
SCHEMBL22414007 0.78 ATM (0.57) BCAT2CYP2C8UCHL5ATMCDC25B
SCHEMBL28162861 0.77 CDC25B (0.63) BCAT2CYP2C8ATMCDC25BHNF4A
SCHEMBL12551618 0.77 KMO (0.50) KMOHDAC8ATMGRM5ERCC5
SCHEMBL28043125 0.76 KMO (0.56) KMOHDAC8BCAT2CYP2C8ATM
SCHEMBL1960214 0.75 GSTA1 (0.43) GSTA1HNF4AMEN1KMT2AMAPT
SCHEMBL17169608 0.75 MEN1 (0.45) BCAT2HNF4AMEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 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 (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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 KMO 2811/4885HDAC8 3987/4885BCAT2 1961/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 KMO 2811/4885HDAC8 3987/4885BCAT2 1961/4885

“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.