SCHEMBL21089463

SCHEMBL21089463

Nc1ccccc1-c1nc2c(-c3cccc4ccccc34)cc(-c3ccc(F)cc3)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LIMK1 P53667 1/20 0.36
APP P05067 4/20 0.36
CYP17A1 P05093 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
CYP3A4 P08684 1/20 0.35

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
SCHEMBL21089206 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1NPC1GAA
SCHEMBL21089682 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1NPC1GAA
SCHEMBL21089673 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1NPC1GAA
SCHEMBL21089462 0.87 NPC1 (0.37) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL21089321 0.86 MAPT (0.45) ALDH1A1KDM4EMEN1NPC1GAA
SCHEMBL21089491 0.86 PIM1 (0.40) ALDH1A1KDM4EMEN1NPC1GAA
SCHEMBL21089492 0.85 ALOX5 (0.38) ALDH1A1KDM4EMEN1NPC1GAA
SCHEMBL21089501 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1NPC1GAA
SCHEMBL21089680 0.81 KDM4E (0.40) ALDH1A1KDM4EMEN1NPC1GAA
SCHEMBL21089385 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1NPC1GAA

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 ALDH1A1 451/4885KDM4E 812/4885MEN1 115/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 ALDH1A1 451/4885KDM4E 812/4885MEN1 115/4885

“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.