SCHEMBL26553205

SCHEMBL26553205

N#Cc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.42
▸ GABRG2 P18507 5/20 0.40
▸ GABRB3 P28472 5/20 0.40
▸ GABRA5 P31644 3/20 0.40
▸ GABRA3 P34903 3/20 0.40
▸ GABRA1 P14867 4/20 0.40
▸ GABRA2 P47869 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SSTR2 P30874 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 2/20 0.39

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
SCHEMBL25774473 0.95 GABRG2 (0.41) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25775229 0.94 ESR2 (0.41) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25774471 0.92 ESR2 (0.45) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26553218 0.90 CYP11B1 (0.43) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26275683 0.90 GABRG2 (0.44) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27368544 0.89 ESR2 (0.44) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26553108 0.88 ESR2 (0.41) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26276038 0.87 GABRG2 (0.43) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26553215 0.87 ESR2 (0.39) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26274212 0.85 ABCG2 (0.50) GABRG2GABRB3GABRA5GABRA3GABRA1

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-20230331704-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2023-10-19 — — US disclosed
US-20230331704-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 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-20230331704-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME NR2E3, NR2E1, NR0B2 TRPA1 116/4885GABRG2 3205/4885GABRB3 3420/4885

“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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