SCHEMBL21089462

SCHEMBL21089462

Oc1ccccc1-c1nc2c(-c3cccc4ccccc34)cc(-c3ccc(F)cc3)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 3/20 0.36
APP P05067 3/20 0.36
SULT1A1 P50225 1/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
CYP17A1 P05093 1/20 0.35
MCL1 Q07820 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
LIMK1 P53667 1/20 0.35
MAPK13 O15264 1/20 0.35
GCGR P47871 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 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
SCHEMBL21089393 0.90 KDM4E (0.37) NPC1MEN1KMT2AAPPMCL1
SCHEMBL21089195 0.89 HSD17B1 (0.40) NPC1MEN1KMT2AMCL1ACMSD
SCHEMBL21089672 0.88 MCL1 (0.39) NPC1MEN1KMT2AALOX5APP
SCHEMBL21089463 0.87 ALDH1A1 (0.41) NPC1MEN1KMT2AAPPCYP17A1
SCHEMBL21089318 0.86 ALOX5 (0.45) NPC1MEN1KMT2AALOX5APP
SCHEMBL21089496 0.86 ALOX15 (0.38) PARP1MCL1ACMSDLIMK1
SCHEMBL21089493 0.85 ALOX5 (0.45) NPC1MEN1KMT2AALOX5APP
SCHEMBL21089319 0.81 PTGS2 (0.44) NPC1MEN1KMT2AALOX5APP
SCHEMBL21089498 0.81 HSD17B1 (0.42) NPC1MEN1KMT2AMCL1ACMSD
SCHEMBL21089384 0.79 NPC1 (0.42) NPC1MEN1KMT2AAPPMAPK14

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-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-31 US disclosed
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LAPTO CO., LTD. (KR) 2019-06-13 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-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device CHRM1, L1CAM, CHRM4 NPC1 3577/4885MEN1 115/4885KMT2A 1580/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 NPC1 3577/4885MEN1 115/4885KMT2A 1580/4885

“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.