SCHEMBL21089200

SCHEMBL21089200

Nc1ccccc1-c1nc2c(-c3ccccc3)cc(-c3cccc4c3oc3ccccc34)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
GGPS1 O95749 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ADORA2A P29274 1/20 0.34
HSD17B10 Q99714 2/20 0.33
PRKDC P78527 2/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL21089207 0.94 ALOX5 (0.42) ALOX5ALDH1A1MAPTKDM4EGAA
SCHEMBL21089467 0.91 ALOX5 (0.40) ALOX5ALDH1A1MAPTKDM4EGAA
SCHEMBL21089685 0.90 ALDH1A1 (0.38) ALOX5ALDH1A1MAPTKDM4EGAA
SCHEMBL21089443 0.89 ALDH1A1 (0.38) ALOX5ALDH1A1MAPTKDM4EGAA
SCHEMBL21089197 0.88 ALOX5 (0.48) ALOX5ALDH1A1MAPTKDM4EKMT2A
SCHEMBL21089317 0.84 KDM4E (0.35) ALOX5ALDH1A1MAPTKDM4EGAA
SCHEMBL21089212 0.84 MEN1 (0.40) ALOX5ALDH1A1MAPTKDM4EGAA
SCHEMBL21089492 0.84 ALOX5 (0.38) ALOX5ALDH1A1MAPTKDM4EGAA
SCHEMBL21089501 0.83 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL21089302 0.80 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EGAAKMT2A

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 ALOX5 4229/4885ALDH1A1 451/4885MAPT 1819/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 ALOX5 4229/4885ALDH1A1 451/4885MAPT 1819/4885

“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.