SCHEMBL2369773

SCHEMBL2369773

CC(=O)Nc1c(Br)ccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 4/20 0.57
ABCC9 O60706 3/20 0.57
ABCC8 Q09428 3/20 0.57
KCNJ8 Q15842 3/20 0.57
RXFP1 Q9HBX9 2/20 0.56
KDM4E B2RXH2 7/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
IDO1 P14902 1/20 0.46
POLB P06746 4/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GLA P06280 1/20 0.44
EPHX1 P07099 1/20 0.44
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL1806259 0.81 ABCC9 (0.59) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL1806258 0.81 ABCC9 (0.59) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL20194455 0.81 KCNJ11 (0.59) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL30640474 0.81 KCNJ11 (0.59) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL8899556 0.78 ABCC9 (0.55) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL7746823 0.78 ABCC9 (0.56) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL2889109 0.78 KCNJ11 (0.56) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL8628219 0.77 KCNJ11 (0.62) KCNJ11ABCC9ABCC8KCNJ8RXFP1
SCHEMBL23499928 0.77 MTNR1A (0.56) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL9486801 0.77 KCNJ11 (0.48) KCNJ11ABCC9ABCC8KCNJ8RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105165-A A kind of preparation method of high-purity 1,4- dibromine naphthalene 黑龙江省科学院石油化学研究院 2019-08-09 CN claimed
EP-3044284-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed
EP-3044284-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed
CN-110105165-A A kind of preparation method of high-purity 1,4- dibromine naphthalene 黑龙江省科学院石油化学研究院 2019-08-09 CN disclosed
CN-105531347-B Metal complex 默克专利有限公司 2018-09-11 CN disclosed
US-9831448-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-11-28 US disclosed
US-9831448-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-11-28 US disclosed
US-9831448-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-11-28 US disclosed
US-20160233443-A1 Metal Complexes MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-20160233443-A1 Metal Complexes MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-20160233443-A1 Metal Complexes MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
EP-3044284-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2016-07-20 EP disclosed
WO-2015036074-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-03-19 WO disclosed
WO-2015036074-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-03-19 WO disclosed
EP-2755982-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohme Corp. (US) 2014-07-23 EP disclosed
WO-2013039878-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-21 WO disclosed
EP-2545060-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
WO-2011112429-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2011-09-15 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 (1 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-20160233443-A1 Metal Complexes AP1M1, SOD1, AP3M1 KCNJ11 256/4885ABCC9 2307/4885ABCC8 3795/4885

“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.