SCHEMBL23917108

SCHEMBL23917108

c1ccc(-c2nc3cc4c(cc3n2-c2ccccc2)nc2ccccn24)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.52
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 5/20 0.52
GLA P06280 5/20 0.52
HPGD P15428 3/20 0.52
NPC1 O15118 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 2/20 0.52
HSD17B10 Q99714 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
HCAR1 Q9BXC0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
PDE10A Q9Y233 2/20 0.39

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
SCHEMBL23917323 0.96 GAA (0.51) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL23917370 0.87 GAA (0.48) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL23917122 0.85 KDM4E (0.52) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL23917342 0.82 PI4KA (0.42) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL23917163 0.80 ALDH1A1 (0.47) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL24295352 0.80 ESR1 (0.57) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL23917116 0.79 HCAR1 (0.45) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL23917127 0.78 ESR1 (0.41) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL23917331 0.78 ALDH1A1 (0.47) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL21622694 0.77 HCAR1 (0.41) GAAALDH1A1KDM4EGLAHPGD

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 GAA 2390/4885ALDH1A1 504/4885KDM4E 2132/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM GAA 2390/4885ALDH1A1 504/4885KDM4E 2132/4885

“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.