Sugi Predict

Sugi Predict / Compounds / SCHEMBL955898

SCHEMBL955898

SCHEMBL955898

FC(c1cccc(Br)n1)(c1cccc(Br)n1)c1cccc(Br)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.38
▸ PGK2 P07205 1/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ IDH1 O75874 1/20 0.30
▸ IDH2 P48735 1/20 0.30
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30

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
SCHEMBL1961843 0.88 GRM5 (0.40) PGK1PGK2GABRA1GABRG2GABRB3
SCHEMBL37428 0.86 GABRA1 (0.47) PGK1PGK2GABRA1GABRG2GABRB3
SCHEMBL906764 0.82 GABRA1 (0.36) PGK1PGK2GABRA1GABRG2GABRB3
SCHEMBL31078226 0.82 IDH1 (0.37) PGK1PGK2GABRA1GABRG2GABRB3
SCHEMBL5646151 0.82 GABRA1 (0.36) PGK1PGK2GABRA1GABRG2GABRB3
SCHEMBL30041313 0.82 GABRA1 (0.36) PGK1PGK2GABRA1GABRG2GABRB3
SCHEMBL1437359 0.82 IDH1 (0.37) PGK1PGK2GABRA1GABRG2GABRB3
SCHEMBL29272376 0.82 GABRA1 (0.36) PGK1PGK2GABRA1GABRG2GABRB3
SCHEMBL10056575 0.80 CYP3A4 (0.34) PGK1PGK2GABRA1GABRG2GABRB3
SCHEMBL3973 0.79 — —

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10538698-B2 Electronic device comprising metal complexes MERCK PATENT GMBH (DE) 2020-01-21 — — US disclosed
US-9634268-B2 Electronic device comprising metal complexes MERCK PATENT GMBH (DE) 2017-04-25 — — US disclosed
US-9481826-B2 Electronic device comprising metal complexes MERCK PATENT GMBH (DE) 2016-11-01 — — US disclosed
US-20160024119-A1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES UDC IRELAND LIMITED (IE) 2016-01-28 — — US disclosed
US-9074128-B2 Metal complexes having azaborol ligands and electronic device having the same MERCK PATENT GMBH (DE) 2015-07-07 — — US disclosed
US-9074128-B2 Metal complexes having azaborol ligands and electronic device having the same MERCK PATENT GMBH (DE) 2015-07-07 — — US disclosed
US-8722898-B2 — — 2014-05-13 — — US disclosed
US-8722898-B2 — — 2014-05-13 — — US disclosed
US-8617723-B2 Metal complexes MERCK PATENT GMBH (DE) 2013-12-31 — — US disclosed
US-20120286254-A1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-11-15 — — US disclosed
EP-2254896-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2010-12-01 — — EP disclosed
WO-2010099852-A1 METAL COMPLEXES HAVING AZABOROL LIGANDS AND ELECTRONIC DEVICE HAVING THE SAME MERCK PATENT GMBH (DE) 2010-09-10 — — WO disclosed
US-20100227978-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-09-09 — — US disclosed
US-7728137-B2 Metal complexes MERCK PATENT GMBH (DE) 2010-06-01 — — US disclosed
WO-2009118087-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-10-01 — — WO disclosed
EP-1603923-B9 METAL COMPLEXES MERCK PATENT GMBH (DE) 2007-10-31 — — EP disclosed
EP-1603923-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2007-05-30 — — EP disclosed
US-20060220004-A1 with Tris(2-bromo-6-pyridyl)phosphine oxide ligands; organic light-emitting diodes, integrated circuits, organic field-effect transistors, thin-film transistors, organic solar cells, and/or laser diodes COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2006-10-05 — — US disclosed
EP-1603923-A1 METAL COMPLEXES Covion Organic Semiconductors GmbH (DE) 2005-12-14 — — EP disclosed
WO-2004081017-A1 METAL COMPLEXES COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2004-09-23 — — 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 (5 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-20120286254-A1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES AP1M1, EXOC1, EMC1 PGK1 2945/4885PGK2 3607/4885GABRA1 2854/4885
US-20100227978-A1 METAL COMPLEXES AP1M1, SOD1, AP2M1 PGK1 3295/4885PGK2 3647/4885GABRA1 2831/4885
US-20060220004-A1 with Tris(2-bromo-6-pyridyl)phosphine oxide ligands; organic light-emitting diodes, integrated circuits, organic field-effect transistors, thin-film transistors, organic solar cells, and/or laser diodes TRPC6, TRPC1, NCS1 PGK1 1087/4885PGK2 1620/4885GABRA1 1990/4885
US-10538698-B2 Electronic device comprising metal complexes OCIAD1, OCIAD2, OSTC PGK1 1846/4885PGK2 2431/4885GABRA1 3856/4885
US-20160024119-A1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES AP1M1, EXOC1, SOD1 PGK1 3204/4885PGK2 3528/4885GABRA1 2985/4885

“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.