SCHEMBL7108662

SCHEMBL7108662

COc1ccc(Br)cc1F.[MgH2]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
TUBB1 Q9H4B7 3/20 0.47
KDM1A O60341 2/20 0.44
EGFR P00533 1/20 0.43
RET P07949 1/20 0.43
KIF5B P33176 1/20 0.43
KDR P35968 1/20 0.43
NPC1 O15118 1/20 0.43
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29677789 0.98 HTT (0.50) HTTMAPK1LMNARAB9ATUBB1
SCHEMBL282059 0.98 HTT (0.50) HTTMAPK1LMNARAB9ATUBB1
SCHEMBL7783072 0.83 CYP17A1 (0.57) HTTMAPK1LMNARAB9ATUBB1
SCHEMBL30988808 0.83 SLC6A4 (0.39) HTTMAPK1LMNARAB9ATUBB1
SCHEMBL7110169 0.83 KDM4E (0.41) HTTLMNATUBB1EGFRRET
SCHEMBL23259191 0.82 GAA (0.44) HTTMAPK1LMNARAB9AEGFR
SCHEMBL265537 0.80 KDM4E (0.42) HTTLMNATUBB1EGFRRET
SCHEMBL29365368 0.80 KDM4E (0.42) HTTLMNATUBB1EGFRRET
SCHEMBL17070605 0.80 KDM4E (0.42) HTTLMNATUBB1EGFRRET
SCHEMBL1256865 0.79 CA2 (0.54) MAPK1ACHETDP1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100548950-C Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2009-10-14 CN claimed
CN-1759084-A Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2006-04-12 CN claimed
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 EP disclosed
US-9102688-B2 Sulfonaminoquinoline hepcidin antagonists VIFOR (INTERNATIONAL) AG (CH) 2015-08-11 US disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2014-12-11 US disclosed
EP-2675526-A1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS Vifor (International) AG (CH) 2013-12-25 EP disclosed
WO-2012110603-A1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 WO disclosed
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
CN-100548950-C Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2009-10-14 CN disclosed
CN-101391972-A Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2009-03-25 CN disclosed
EP-0826680-A1 Dihydronaphthalene and naphthalene compounds, intermediates, formulations, and methods ELI LILLY AND COMPANY (US) 1998-03-04 EP disclosed
EP-0826670-A1 Naphthalene compounds, intermediates, formulations, and methods ELI LILLY AND COMPANY (US) 1998-03-04 EP disclosed
EP-0341686-B1 Novel halogen-containing ester compounds, and their intermediates, and method of producing the same as well as liquid crystal compositions containing the same and light switching elements JAPAN ENERGY CORP (JP) 1994-08-17 EP disclosed
US-5098602-A Aromatic ester derivatives and fluorophenol ketones NIPPON MINING CO., LTD. (JP) 1992-03-24 US disclosed
EP-0231853-B1 OPTICALLY ACTIVE CARBOXYLIC ACID DERIVATIVES AND LIQUID CRYSTALLINE COMPOSITIONS COMPRISING THEM DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-11-22 EP disclosed
US-4914224-A HIGH-SPEED RESPONSE, WIDE TEMPERATURE RANGE, CHIRAL SMECTIC PHASES DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-04-03 US disclosed
US-4911862-A Aromatic carboxylic ester DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-03-27 US disclosed
EP-0341686-A2 Novel halogen-containing ester compounds, and their intermediates, and method of producing the same as well as liquid crystal compositions containing the same and light switching elements JAPAN ENERGY CORPORATION (JP) 1989-11-15 EP disclosed
EP-0231853-A2 Optically active carboxylic acid derivatives and liquid crystalline compositions comprising them DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-08-12 EP 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 (3 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-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 HTT 1327/4885MAPK1 2936/4885LMNA 4127/4885
US-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A HTT 501/4885MAPK1 2103/4885LMNA 3807/4885
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 HTT 1327/4885MAPK1 2936/4885LMNA 4127/4885

“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.