SCHEMBL21889503

SCHEMBL21889503

c1ccc(-c2cc(-c3nc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ACHE P22303 1/20 0.36
ATM Q13315 1/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
ADORA2A P29274 2/20 0.33
RAB9A P51151 2/20 0.33
ADORA1 P30542 1/20 0.33
PDE10A Q9Y233 1/20 0.33
SLC2A1 P11166 1/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
CYP19A1 P11511 1/20 0.33
NPY5R Q15761 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
SCHEMBL21889502 0.92 CYP19A1 (0.37) KDM4EL3MBTL1ACHEATMMEN1
SCHEMBL21889501 0.89 MEN1 (0.40) KDM4EL3MBTL1ACHEATMMEN1
SCHEMBL21888643 0.86 KDM4E (0.35) KDM4EL3MBTL1ACHEATMMEN1
SCHEMBL21888845 0.86 MEN1 (0.41) KDM4EL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL23223016 0.84 CYP19A1 (0.35) KDM4EL3MBTL1ACHEATMMEN1
SCHEMBL23222961 0.84
SCHEMBL21888645 0.83 ACHE (0.36) KDM4EL3MBTL1ACHEATMMEN1
SCHEMBL21889508 0.83 ACHE (0.37) KDM4EL3MBTL1ACHEATMMEN1
SCHEMBL22148790 0.82 KMT2A (0.42) KDM4EL3MBTL1ACHEATMMEN1
SCHEMBL21888843 0.81 ATM (0.38) KDM4EL3MBTL1ACHEATMMEN1

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 1045/4885ACHE 316/4885

“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.