SCHEMBL30745217

SCHEMBL30745217

Nc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
MAPT P10636 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CRHBP P24387 1/20 0.38
ATM Q13315 1/20 0.38
CRHR2 Q13324 1/20 0.38
TLR9 Q9NR96 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37

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
SCHEMBL14429703 0.85 ALDH1A1 (0.50) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL14429663 0.85 ALDH1A1 (0.50) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL5573880 0.84 ALDH1A1 (0.52) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL3893119 0.83 ALDH1A1 (0.64) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL973065 0.82 ALDH1A1 (0.61) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL29288558 0.82 TDP1 (0.56) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL30745215 0.82 MEN1 (0.42) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL3038725 0.81 ALDH1A1 (0.64) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL2574125 0.81 ALDH1A1 (0.59) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL30128689 0.81 ALDH1A1 (0.64) ALDH1A1TDP1MAPTL3MBTL1KDM4E

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-20240002352-A1 COMPOUND, LIGHT-EMITTING MATERIAL, DELAYED FLUORESCENCE MATERIAL, AND ORGANIC LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2024-01-04 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-20240002352-A1 COMPOUND, LIGHT-EMITTING MATERIAL, DELAYED FLUORESCENCE MATERIAL, AND ORGANIC LIGHT-EMITTING ELEMENT DRD1, NR2E3, NR1D1 ALDH1A1 345/4885TDP1 3337/4885MAPT 1715/4885

“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.