SCHEMBL18015459

SCHEMBL18015459

Cc1cc(-c2ccc(-c3ccccc3Br)cc2)ncc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LDHA P00338 1/20 0.51
RAB9A P51151 9/20 0.40
NPC1 O15118 8/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
DYRK1A Q13627 2/20 0.39
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL20075600 0.98 ALDH1A1 (0.50) MAPK1ALDH1A1LDHARAB9ANPC1
SCHEMBL18015449 0.93 LDHA (0.46) MAPK1ALDH1A1LDHARAB9ANPC1
SCHEMBL18015453 0.91 LDHA (0.54) MAPK1ALDH1A1LDHARAB9ANPC1
SCHEMBL18015452 0.90 LDHA (0.41) MAPK1ALDH1A1LDHARAB9ANPC1
SCHEMBL18015458 0.88 KDM4E (0.41) MAPK1ALDH1A1LDHASMN1; SMN2KDM4E
SCHEMBL29604379 0.87 LDHA (0.64) ALDH1A1LDHARAB9ANPC1SMN1; SMN2
SCHEMBL117744 0.87 LDHA (0.64) ALDH1A1LDHARAB9ANPC1SMN1; SMN2
SCHEMBL14988841 0.85 LDHA (0.62) ALDH1A1LDHARAB9ANPC1SMN1; SMN2
SCHEMBL29365185 0.85 LDHA (0.62) ALDH1A1LDHARAB9ANPC1SMN1; SMN2
SCHEMBL19933624 0.85 LDHA (0.38) MAPK1ALDH1A1LDHARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 EP 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-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3658564-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
EP-3526228-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP 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-2019020538-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-01-31 WO 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-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 (7 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC MAPK1 4689/4885ALDH1A1 2742/4885LDHA 2726/4885
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-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG MAPK1 4579/4885ALDH1A1 3712/4885LDHA 2820/4885
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-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.