SCHEMBL21929079

SCHEMBL21929079

N#Cc1ccccc1-c1cc(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)ncc1-n1c2ccccc2c2cc(-c3cccc(-c4ccccc4)n3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.38
GABRB3 P28472 7/20 0.38
GABRA3 P34903 5/20 0.38
GABRA5 P31644 4/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TRPA1 O75762 1/20 0.34
NR3C1 P04150 1/20 0.34
GABRA1 P14867 6/20 0.34
GABRA2 P47869 4/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TGFBR1 P36897 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA3 P42263 1/20 0.34
PDE4D Q08499 1/20 0.34
SLC6A9 P48067 1/20 0.33

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
SCHEMBL21928494 0.97 GABRG2 (0.40) GABRG2GABRB3GABRA3GABRA5CYP11B1
SCHEMBL21929078 0.95 GABRG2 (0.37) GABRG2GABRB3GABRA3GABRA5CYP11B1
SCHEMBL23098066 0.92 GABRG2 (0.39) GABRG2GABRB3GABRA3GABRA5CYP11B1
SCHEMBL21929062 0.90 ALDH1A1 (0.37) GABRG2GABRB3GABRA3GABRA5CYP11B1
SCHEMBL21929076 0.90 GABRG2 (0.37) GABRG2GABRB3GABRA3GABRA5CYP11B1
SCHEMBL21931697 0.89 GABRA1 (0.36) GABRG2GABRB3GABRA3GABRA5CYP11B1
SCHEMBL21928495 0.89 SLC6A9 (0.39) GABRG2GABRB3GABRA3GABRA5TRPA1
SCHEMBL21931798 0.88 TRPA1 (0.35) GABRG2GABRB3GABRA3GABRA5TRPA1
SCHEMBL23098067 0.88 GABRG2 (0.32) GABRG2GABRB3GABRA3GABRA5GRIA1
SCHEMBL21931781 0.88 TRPA1 (0.42) GABRG2GABRB3GABRA3GABRA5TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 US disclosed
US-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 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 (2 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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 GABRG2 2297/4885GABRB3 1849/4885GABRA3 2445/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA GABRG2 1307/4885GABRB3 1759/4885GABRA3 1838/4885

“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.