SCHEMBL21928496

SCHEMBL21928496

N#Cc1ccccc1-c1cc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)ncc1-n1c2ccccc2c2ccc(-c3ccc(-c4ccccc4)nc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.38
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA3 P42263 1/20 0.33
PDE4D Q08499 1/20 0.33
TRPA1 O75762 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 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
SCHEMBL21928498 0.97 SLC6A9 (0.40) SLC6A9GABRG2GABRB3GABRA5GABRA3
SCHEMBL21928495 0.95 SLC6A9 (0.39) SLC6A9GABRG2GABRB3GABRA5GABRA3
SCHEMBL21928499 0.92 SLC6A9 (0.41) SLC6A9GABRG2GABRB3GABRA5GABRA3
SCHEMBL21929061 0.92 ALDH1A1 (0.36) GABRG2GABRB3GABRA5GABRA3NPSR1
SCHEMBL21928500 0.90 GABRG2 (0.39) SLC6A9GABRG2GABRB3GABRA5GABRA3
SCHEMBL21929060 0.89 ALDH1A1 (0.39) GABRG2GABRB3GABRA5GABRA3NPSR1
SCHEMBL21929078 0.89 GABRG2 (0.37) SLC6A9GABRG2GABRB3GABRA5GABRA3
SCHEMBL21931789 0.88 TRPA1 (0.41) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL21928371 0.88 GABRA1 (0.36) SLC6A9GABRG2GABRB3GABRA5GABRA3
SCHEMBL21929062 0.87 ALDH1A1 (0.37) GABRG2GABRB3GABRA5GABRA3NPSR1

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 SLC6A9 2738/4885GABRG2 2297/4885GABRB3 1849/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA SLC6A9 3844/4885GABRG2 1307/4885GABRB3 1759/4885

“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.