SCHEMBL20411025

SCHEMBL20411025

c1ccc2c(-c3ccc(C4=NCCC4)cc3)c3ccccc3c(-c3ccc(C4=NCCC4)cc3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 12/20 0.60
CHRNA3 P32297 12/20 0.60
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
THRB P10828 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 2/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
CHRNA7 P36544 2/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.39
NOS3 P29474 1/20 0.34
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 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
SCHEMBL165812 0.81 CHRNB4 (0.87) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL895500 0.75 CHRNB4 (1.00) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL6797483 0.74 CHRNB4 (0.96) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL3574404 0.74 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL15665457 0.74 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL24414772 0.74 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL2045328 0.74 CHRNB4 (0.57) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL4693339 0.74 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL27928338 0.74 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL20819791 0.72 CHRNB4 (0.53) CHRNB4CHRNA3ALDH1A1CYP1A2THRB

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-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME JNC CORPORATION (JP) 2018-07-26 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-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SLC7A5, EML4, ARNT CHRNB4 440/4885CHRNA3 567/4885ALDH1A1 1266/4885

“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.