SCHEMBL22484828

SCHEMBL22484828

N#Cc1cccc(-c2cccc(B(O)O)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.79
MGLL Q99685 1/20 0.60
CLK4 Q9HAZ1 1/20 0.49
XDH P47989 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
P4HB P07237 1/20 0.44
PTPN5 P54829 1/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA1 P14867 1/20 0.44
KAT6A Q92794 1/20 0.43
IDO1 P14902 2/20 0.42
NOTUM Q6P988 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL29953646 1.00 ENPP2 (0.79) ENPP2MGLLCLK4XDHSLC22A12
SCHEMBL4883 0.88 ENPP2 (1.00) ENPP2MGLLCLK4P4HB
SCHEMBL30002811 0.88 ENPP2 (1.00) ENPP2MGLLCLK4P4HB
SCHEMBL16016598 0.87 ENPP2 (0.65) ENPP2MGLLCLK4XDHSLC22A12
SCHEMBL16016633 0.87 ENPP2 (0.65) ENPP2MGLLXDHSLC22A12PTPN5
SCHEMBL16016558 0.86 MGLL (0.68) ENPP2MGLLCLK4XDHSLC22A12
SCHEMBL31139484 0.82 MGLL (0.86) ENPP2MGLL
SCHEMBL2154026 0.82 CLK4 (0.65) ENPP2CLK4XDHSLC22A12PTPN5
SCHEMBL12619984 0.82 MGLL (0.86) ENPP2MGLL
SCHEMBL30712840 0.82 MGLL (0.86) ENPP2MGLL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128259-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2023-04-27 US disclosed
CN-113045553-A Aza-aromatic compound used as electron transport material and application thereof 烟台显华化工科技有限公司 2021-06-29 CN disclosed
CN-112125892-A Compound, electron transport material and organic electroluminescent device 烟台显华化工科技有限公司 2020-12-25 CN disclosed
WO-2020197170-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME 주식회사 엘지화학 2020-10-01 WO 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-20230128259-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME L1CAM, CRY1, CRY2 ENPP2 3992/4885MGLL 1438/4885CLK4 2266/4885

“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.