SCHEMBL30118232

SCHEMBL30118232

c1ccc(-c2nc(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3ccccn3)nc(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3ccccn3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAC2 P15153 1/20 0.36
RAC3 P60763 1/20 0.36
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
MAPK1 P28482 2/20 0.35
UHRF1 Q96T88 1/20 0.35
PLAUR Q03405 1/20 0.35
NPY5R Q15761 3/20 0.35
NOX4 Q9NPH5 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34

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
SCHEMBL21069112 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EATML3MBTL1RAC2
SCHEMBL21162946 0.96 ALDH1A1 (0.38) ALDH1A1KDM4EATML3MBTL1RAC2
SCHEMBL30118269 0.96 ALDH1A1 (0.38) ALDH1A1KDM4EATML3MBTL1RAC2
SCHEMBL17228357 0.93 KDM4E (0.38) ALDH1A1KDM4EATML3MBTL1KMT2A
SCHEMBL17714879 0.92 ALDH1A1 (0.37) ALDH1A1KDM4EATML3MBTL1RAC2
SCHEMBL21069127 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL20077931 0.89 KDM4E (0.41) ALDH1A1KDM4EATML3MBTL1KMT2A
SCHEMBL30118242 0.88 ATM (0.38) ALDH1A1KDM4EATML3MBTL1RAC2
SCHEMBL16785745 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL21069060 0.88 ATM (0.38) ALDH1A1KDM4EATML3MBTL1RAC2

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-11575088-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-02-07 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-11575088-B2 Composition of matter for use in organic light-emitting diodes CRY2, CYBA, ALDH1A2 ALDH1A1 116/4885KDM4E 4556/4885ATM 2253/4885

“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.