SCHEMBL20600847

SCHEMBL20600847

Brc1ncccc1-c1cccc2c1[nH]c1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.51
▸ TDO2 P48775 4/20 0.48
▸ IDO1 P14902 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GABRP O00591 1/20 0.47
▸ GABRD O14764 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ GABRB1 P18505 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ APEX1 P27695 1/20 0.47

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
SCHEMBL27995015 0.85 IDO1 (0.44) BCHETDO2IDO1GABRPGABRD
SCHEMBL27962668 0.83 BCHE (0.60) BCHETDO2IDO1KDM4EMEN1
SCHEMBL20600867 0.82 BCHE (0.56) BCHETDO2IDO1KDM4EMEN1
SCHEMBL208113 0.81 KIF11 (0.63) BCHEGABRPGABRDALDH1A1GABRA1
SCHEMBL29733506 0.81 KIF11 (0.63) BCHEGABRPGABRDALDH1A1GABRA1
SCHEMBL29986379 0.80 BCHE (0.56) BCHETDO2IDO1KDM4EMEN1
SCHEMBL14119773 0.80 BCHE (0.56) BCHETDO2IDO1KDM4EMEN1
SCHEMBL28799504 0.80 TDO2 (0.47) BCHETDO2IDO1KDM4EMEN1
SCHEMBL51674 0.79 KIF11 (0.61) BCHEGABRPGABRDALDH1A1GABRA1
SCHEMBL191654 0.79 KIF11 (0.61) BCHEGABRPGABRDALDH1A1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914255-B Organic molecules, in particular for optoelectronic devices 三星显示有限公司 2023-03-31 — — CN disclosed
US-11548869-B2 Organic molecules for use in organic optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-10 — — US disclosed
EP-3645524-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-11-24 — — EP disclosed
US-20210139457-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-05-13 — — US disclosed
EP-3645524-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES cynora GmbH (DE) 2020-05-06 — — EP disclosed
CN-110914255-A Organic molecules, in particular for optoelectronic devices 辛诺拉有限公司 2020-03-24 — — CN disclosed
WO-2019002355-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-03 — — WO 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-20210139457-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 BCHE 1373/4885TDO2 554/4885IDO1 1841/4885
US-11548869-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OCIAD2 BCHE 1373/4885TDO2 554/4885IDO1 1841/4885

“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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