SCHEMBL18015449

SCHEMBL18015449

Cc1cc(-c2ccc(-c3ccccc3Br)cc2)ncc1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.38
ENPP3 O14638 2/20 0.37
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
DYRK1A Q13627 2/20 0.35
ENPP1 P22413 1/20 0.35

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 0.95 ALDH1A1 (0.50) LDHAALDH1A1MAPK1ENPP3RAB9A
SCHEMBL18015459 0.93 MAPK1 (0.52) LDHAALDH1A1MAPK1ENPP3RAB9A
SCHEMBL18015458 0.87 KDM4E (0.41) LDHAALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL21202790 0.85 LDHA (0.51) LDHAALDH1A1IRAK4ENPP3RAB9A
SCHEMBL18015453 0.84 LDHA (0.54) LDHAALDH1A1MAPK1RAB9ANPC1
SCHEMBL18015467 0.84 ADORA2A (0.44) LDHAALDH1A1MAPK1KDM4ENPSR1
SCHEMBL18015452 0.84 LDHA (0.41) LDHAALDH1A1MAPK1RAB9ANPC1
SCHEMBL22563336 0.83 LDHA (0.45) LDHAALDH1A1IRAK4ENPP3RAB9A
SCHEMBL20007323 0.83 LDHA (0.45) LDHAALDH1A1IRAK4ENPP3RAB9A
SCHEMBL18015350 0.82 LDHA (0.49) LDHAALDH1A1IRAK4RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3526228-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
WO-2018069197-A1 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
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 (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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 LDHA 2122/4885ALDH1A1 2989/4885MAPK1 4726/4885
US-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC LDHA 2726/4885ALDH1A1 2742/4885MAPK1 4689/4885
US-11322696-B2 Metal complexes AP1M1, AP3M1, AP2M1 LDHA 2049/4885ALDH1A1 2507/4885MAPK1 2949/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LDHA 1917/4885ALDH1A1 2597/4885MAPK1 4164/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 LDHA 2122/4885ALDH1A1 2989/4885MAPK1 4726/4885

“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.