SCHEMBL23855835

SCHEMBL23855835

c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.36
NPY5R Q15761 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGER4 P35408 3/20 0.33
ATM Q13315 3/20 0.33
HTT P42858 2/20 0.33
ACP1 P24666 2/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
DNM1 Q05193 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
XBP1 P17861 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
SCHEMBL23855973 0.96 MEN1 (0.36) TSPOMEN1KMT2AMAPTHPGD
SCHEMBL23855955 0.92 ATM (0.36) TSPONPY5RMEN1KMT2AMAPT
SCHEMBL23855877 0.91 MEN1 (0.36) NPY5RMEN1KMT2AMAPTHPGD
SCHEMBL21085308 0.89 MEN1 (0.40) TSPOMEN1KMT2AMAPTHPGD
SCHEMBL23855959 0.89 TP53 (0.40) NPY5RMEN1KMT2AMAPTALDH1A1
SCHEMBL25000885 0.88 TSPO (0.43) TSPONPY5RPTGER4ATML3MBTL1
SCHEMBL30709518 0.85 MEN1 (0.37) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL23855896 0.84 TP53 (0.39) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL21190678 0.84 TSPO (0.39) TSPONPY5RMEN1KMT2AMAPT
SCHEMBL21375541 0.83 TSPO (0.38) TSPONPY5RMEN1KMT2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210305517-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2021-09-30 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 (1 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-20210305517-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES OPRD1, DRD1, DRD3 TSPO 4074/4885NPY5R 467/4885MEN1 3613/4885

“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.