SCHEMBL18015263

SCHEMBL18015263

Brc1ccccc1-c1ccc(-c2ccccc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LDHA P00338 1/20 0.49
HPGDS O60760 1/20 0.47
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
NFKB1 P19838 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDO1 P14902 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
CYP11B1 P15538 4/20 0.40

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
SCHEMBL19933810 0.96 ALDH1A1 (0.50) MAPK1ALDH1A1LDHAHPGDSHSD17B1
SCHEMBL21125411 0.93 ALDH1A1 (0.52) MAPK1ALDH1A1LDHAHPGDSHSD17B1
SCHEMBL19933600 0.91 ALDH1A1 (0.52) MAPK1ALDH1A1LDHAHPGDSHSD17B1
SCHEMBL20068872 0.90 MAPK1 (0.52) MAPK1ALDH1A1LDHAHPGDSHSD17B1
SCHEMBL19933811 0.89 HSD17B1 (0.53) MAPK1ALDH1A1LDHAHPGDSHSD17B1
SCHEMBL21142186 0.89 HSD17B1 (0.53) MAPK1ALDH1A1LDHAHPGDSHSD17B1
SCHEMBL21390899 0.89 HSD17B1 (0.53) MAPK1ALDH1A1LDHAHPGDSHSD17B1
SCHEMBL19933685 0.86 ALDH1A1 (0.43) MAPK1ALDH1A1LDHARAB9ASMN1; SMN2
SCHEMBL19933725 0.83 ALDH1A1 (0.44) MAPK1ALDH1A1LDHAHPGDSHSD17B1
SCHEMBL23239937 0.82 KDM1A (0.47) MAPK1ALDH1A1HSD17B1HSD17B2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230320191-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
US-20230320191-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
US-11659763-B2 Metal complexes MERCK PATENT GMBH 2023-05-23 US disclosed
US-11659763-B2 Metal complexes MERCK PATENT GMBH 2023-05-23 US disclosed
EP-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed
US-20230056324-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-11535640-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-12-27 US disclosed
EP-3487865-B1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-23 EP disclosed
US-11322696-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-05-03 US disclosed
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
US-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-05-23 US disclosed
WO-2018069197-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 WO disclosed
WO-2018069196-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 WO disclosed
WO-2018054798-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-29 WO disclosed
WO-2018041769-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-08 WO disclosed
WO-2018019687-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-02-01 WO disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2017032439-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-03-02 WO disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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 (8 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-20230056324-A1 METAL COMPLEXES MCU, IMMT, SOD1 MAPK1 4720/4885ALDH1A1 1713/4885LDHA 1398/4885
US-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES SSBP1, POLRMT, BICRA MAPK1 4605/4885ALDH1A1 4045/4885LDHA 1047/4885
US-20230320191-A1 METAL COMPLEXES IMMT, MCU, SOD1 MAPK1 4683/4885ALDH1A1 1473/4885LDHA 1421/4885
US-11322696-B2 Metal complexes AP1M1, AP3M1, AP2M1 MAPK1 2949/4885ALDH1A1 2507/4885LDHA 2049/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 MAPK1 4164/4885ALDH1A1 2597/4885LDHA 1917/4885
US-11535640-B2 Metal complexes IMMT, MCU, SOD1 MAPK1 4683/4885ALDH1A1 1473/4885LDHA 1421/4885
US-11659763-B2 Metal complexes IMMT, MCU, SOD1 MAPK1 4683/4885ALDH1A1 1473/4885LDHA 1421/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 MAPK1 4726/4885ALDH1A1 2989/4885LDHA 2122/4885

“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.