SCHEMBL21889508

SCHEMBL21889508

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
KDM4E B2RXH2 5/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
ATM Q13315 1/20 0.37
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
LMNA P02545 3/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP19A1 P11511 1/20 0.34
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.33
DHODH Q02127 1/20 0.33
PARP1 P09874 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
SCHEMBL21888624 0.93 ACHE (0.35) ACHEKDM4EL3MBTL1ATMKMT2A
SCHEMBL22148511 0.93 CYP19A1 (0.38) ACHEKDM4EL3MBTL1ATMKMT2A
SCHEMBL22148510 0.93 CYP19A1 (0.38) ACHEKDM4EL3MBTL1ATMKMT2A
SCHEMBL30339202 0.92 TSPO (0.36) ACHEKDM4EL3MBTL1ATMKMT2A
SCHEMBL30338985 0.92 TSPO (0.36) ACHEKDM4EL3MBTL1ATMKMT2A
SCHEMBL22148772 0.92 KMT2A (0.35) ACHEKDM4EL3MBTL1ATMKMT2A
SCHEMBL21888643 0.92 KDM4E (0.35) ACHEKDM4EL3MBTL1ATMKMT2A
SCHEMBL21889491 0.92 CYP19A1 (0.39) ACHEKDM4EL3MBTL1ATMKMT2A
SCHEMBL21888645 0.92 ACHE (0.36) ACHEKDM4EL3MBTL1ATMKMT2A
SCHEMBL13203195 0.91 KDM4E (0.41) ACHEKDM4EL3MBTL1ATMKMT2A

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 ACHE 316/4885KDM4E 4275/4885L3MBTL1 1045/4885

“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.