SCHEMBL23917331

SCHEMBL23917331

c1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3cc4nc5ccccn5c4cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
GAA P10253 6/20 0.47
GLA P06280 5/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PDE10A Q9Y233 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
USP7 Q93009 1/20 0.33
IL1R1 P14778 1/20 0.33
AKT1 P31749 1/20 0.33

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
SCHEMBL23917329 0.88 KDM4E (0.45) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL23917306 0.85 GAA (0.42) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL23917372 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL23917126 0.83 KDM4E (0.45) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL23917366 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL18590848 0.80 IL1R1 (0.46) ALDH1A1KDM4EGAAHPGDPOLB
SCHEMBL23917108 0.78 GAA (0.52) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL23917137 0.77 KDM4E (0.46) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL18590856 0.77 IL1R1 (0.44) ALDH1A1KDM4EGAAHPGDPOLB
SCHEMBL23917321 0.77 KDM4E (0.43) ALDH1A1KDM4EGAAGLAHPGD

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-11581497-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 US disclosed
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-14 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-11581497-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM ALDH1A1 504/4885KDM4E 2132/4885GAA 2390/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM ALDH1A1 504/4885KDM4E 2132/4885GAA 2390/4885

“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.