SCHEMBL26828704

SCHEMBL26828704

CC(C)n1ccnc1-n1c2ccccc2c2cnccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.43
▸ MAOB P27338 4/20 0.43
▸ ACHE P22303 2/20 0.43
▸ CYP2D6 P10635 1/20 0.41
▸ NFATC1 O95644 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ TOP2A P11388 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ NTRK1 P04629 4/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ AGER Q15109 1/20 0.33
▸ SLC6A2 P23975 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
SCHEMBL22781173 0.77 ALDH1A1 (0.32) ALDH1A1MAPTAGER
SCHEMBL22781102 0.76 KMT2A (0.32) ALDH1A1MAPTAGER
SCHEMBL16640343 0.75 MAOA (0.54) MAOAMAOBACHECYP2D6DDB1
SCHEMBL30154869 0.74 MAT2A (0.41) MAPT
SCHEMBL16640335 0.73 MAOA (0.47) MAOAMAOBACHECYP2D6DDB1
SCHEMBL16640315 0.73 MAOA (0.43) MAOAMAOBACHECYP2D6DDB1
SCHEMBL12383089 0.72 RXFP1 (0.47) MAOAMAOBACHECYP2D6GSK3B
SCHEMBL16640323 0.70 MAOA (0.43) MAOAMAOBACHECYP2D6DDB1
SCHEMBL16356751 0.70 MAOA (0.56) MAOAMAOBACHECYP2D6DDB1
SCHEMBL21100431 0.70 MAOA (0.56) MAOAMAOBACHECYP2D6DDB1

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-20230382935-A1 COMPOUND CONTAINING 1,3-DIKETONE LIGAND AND APPLICATION THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE BEIJING GREEN GUARDEE TECHNOLOGY CO., LTD. (CN) 2023-11-30 — — 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-20230382935-A1 COMPOUND CONTAINING 1,3-DIKETONE LIGAND AND APPLICATION THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE TLK1, TLK2, PDK3 MAOA 3990/4885MAOB 2825/4885ACHE 3626/4885

“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.

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