SCHEMBL22148653

SCHEMBL22148653

c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4ccccc43)c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.37
NPY5R Q15761 2/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PTGER4 P35408 5/20 0.33
ATM Q13315 2/20 0.33
ACP1 P24666 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DNM1 Q05193 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
NTSR1 P30989 1/20 0.31
RAC2 P15153 1/20 0.31
RAC3 P60763 1/20 0.31
CDC42 P60953 1/20 0.31
RAC1 P63000 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
SCHEMBL22148642 0.96 MEN1 (0.36) TSPOKMT2AMEN1ALDH1A1MAPT
SCHEMBL21888655 0.95 NPY5R (0.37) TSPONPY5RKMT2AMEN1ALDH1A1
SCHEMBL21562745 0.95 TSPO (0.40) TSPONPY5RKMT2AMAPTPTGER4
SCHEMBL21562746 0.95 TSPO (0.40) TSPONPY5RKMT2AMAPTPTGER4
SCHEMBL22148673 0.94 L3MBTL1 (0.43) TSPONPY5RKMT2AMEN1ALDH1A1
SCHEMBL21085320 0.92 KMT2A (0.38) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL21888622 0.91 MEN1 (0.36) TSPONPY5RKMT2AMEN1ALDH1A1
SCHEMBL21562749 0.91 LDHA (0.35) TSPONPY5R
SCHEMBL22148800 0.90 TSPO (0.34) TSPONPY5RKMT2AMEN1ALDH1A1
SCHEMBL22148747 0.90 TSPO (0.34) TSPONPY5RKMT2AMEN1ALDH1A1

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-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-06-25 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-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, NDUFV2, CRY2 TSPO 2461/4885NPY5R 2303/4885KMT2A 4367/4885

“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.