SCHEMBL23948350

SCHEMBL23948350

c1ccc2c(c1)c1ccccc1n2-c1cnc2c3cccnc3c3cccnc3n12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.35
HTT P42858 1/20 0.35
PDE4A P27815 5/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
CDK9 P50750 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ATM Q13315 1/20 0.34
HSP90AA1 P07900 3/20 0.33
PARP1 P09874 1/20 0.33
NPC1 O15118 1/20 0.33
FEN1 P39748 1/20 0.32
MAOB P27338 1/20 0.32
BRD4 O60885 2/20 0.32
MPI P34949 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL23948352 0.75 ACHE (0.39) ACHEHTTPDE4APDE4BPDE4C
SCHEMBL23948722 0.72 KDM4E (0.51) ACHEL3MBTL1KDM4EATMNPC1
SCHEMBL23948655 0.71 PDE4A (0.43) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL23948724 0.70 PDE4A (0.40) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL25635143 0.68 ACHE (0.44) ACHEHTTCDK9L3MBTL1KDM4E
SCHEMBL12165537 0.68 ACHE (0.44) ACHEHTTCDK9L3MBTL1KDM4E
SCHEMBL16923102 0.68 L3MBTL1 (0.43) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL5473648 0.67 HSP90AA1 (0.62) SLC6A2HTTL3MBTL1KDM4EHSP90AA1
SCHEMBL1102756 0.67 KDM4E (0.41) SLC6A2HTTL3MBTL1KDM4EATM
SCHEMBL5021401 0.67 KDM4E (0.61) PDE4APDE4BPDE4CPDE4DL3MBTL1

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-20210323963-A1 Functional Materials Based on Stable Chemical Structure ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2021-10-21 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-20210323963-A1 Functional Materials Based on Stable Chemical Structure TEAD4, TEAD2, TEAD1 ACHE 1059/4885SLC6A2 3594/4885HTT 2020/4885

“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.