SCHEMBL21888643

SCHEMBL21888643

c1ccc(-c2cc(-c3c(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
ACHE P22303 1/20 0.34
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 3/20 0.32
LMNA P02545 3/20 0.32
PDE10A Q9Y233 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 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
SCHEMBL23223016 0.92 CYP19A1 (0.35) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL21889508 0.92 ACHE (0.37) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL23223018 0.90 MEN1 (0.35) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL21889503 0.86 KDM4E (0.36) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL13203195 0.86 KDM4E (0.41) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL22148511 0.85 CYP19A1 (0.38) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL22148510 0.85 CYP19A1 (0.38) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL21888624 0.85 ACHE (0.35) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL23223015 0.85
SCHEMBL30338985 0.85 TSPO (0.36) KDM4EL3MBTL1KMT2AMEN1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115376-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-04-16 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 (1 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-20200115376-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, NDUFV3, SLCO1B3 KDM4E 4275/4885L3MBTL1 1045/4885KMT2A 4167/4885

“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.