SCHEMBL26592014

SCHEMBL26592014

N#Cc1ccccc1-c1ccc2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)n3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.46
▸ ABL1 P00519 1/20 0.44
▸ ESR2 Q92731 1/20 0.43
▸ GABRG2 P18507 3/20 0.42
▸ GABRB3 P28472 3/20 0.42
▸ GABRA5 P31644 2/20 0.42
▸ GABRA3 P34903 2/20 0.42
▸ NR3C1 P04150 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ CYP1A2 P05177 3/20 0.37
▸ XDH P47989 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL26591983 0.96 TRPA1 (0.45) TRPA1ABL1ESR2GABRG2GABRB3
SCHEMBL26592006 0.96 TRPA1 (0.45) TRPA1ABL1ESR2GABRG2GABRB3
SCHEMBL26591999 0.95 TRPA1 (0.43) TRPA1ABL1ESR2GABRG2GABRB3
SCHEMBL26592004 0.95 TRPA1 (0.43) TRPA1ABL1ESR2GABRG2GABRB3
SCHEMBL26591997 0.94 TRPA1 (0.43) TRPA1ABL1ESR2GABRG2GABRB3
SCHEMBL26592009 0.94 TRPA1 (0.43) TRPA1ABL1ESR2GABRG2GABRB3
SCHEMBL26592002 0.94 ESR2 (0.44) TRPA1ESR2GABRG2GABRB3GABRA5
SCHEMBL27368560 0.94 ESR2 (0.44) TRPA1ESR2GABRG2GABRB3GABRA5
SCHEMBL19939340 0.92 TRPA1 (0.52) TRPA1ABL1ESR2GABRG2GABRB3
SCHEMBL19939348 0.92 ESR2 (0.50) TRPA1ABL1ESR2GABRG2GABRB3

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-20230337532-A1 TRIAZINE COMPOUND, MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, ELECTRON TRANSPORT MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, AND ORGANIC LIGHT EMITTING DIODE TOSOH CORPORATION (JP) 2023-10-19 — — US disclosed
US-20230337532-A1 TRIAZINE COMPOUND, MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, ELECTRON TRANSPORT MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, AND ORGANIC LIGHT EMITTING DIODE TOSOH CORPORATION (JP) 2023-10-19 — — 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-20230337532-A1 TRIAZINE COMPOUND, MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, ELECTRON TRANSPORT MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, AND ORGANIC LIGHT EMITTING DIODE ARNT, TPH1, AHR TRPA1 50/4885ABL1 2449/4885ESR2 174/4885

“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.

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