SCHEMBL4446770

SCHEMBL4446770

Cc1cc(F)ccc1Oc1cccc(Cl)c1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.49
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42
SLC6A4 P31645 3/20 0.42
AR P10275 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
SCN8A Q9UQD0 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
NR1I2 O75469 1/20 0.38
HSD11B1 P28845 1/20 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
SCHEMBL4439280 0.82 SLC6A4 (0.53) NPBWR1MCHR1SLC6A2SLC6A3SLC6A4
SCHEMBL4438697 0.80 AR (0.50) EPAS1SLC6A2SLC6A3SLC6A4AR
SCHEMBL13970688 0.80 EPAS1 (0.49) EPAS1SLC6A2SLC6A3SLC6A4MRGPRX4
SCHEMBL4434971 0.79 SLC6A4 (0.54) SLC6A2SLC6A3SLC6A4SCN8ASCN10A
SCHEMBL4440723 0.78 MEN1 (0.48) SLC6A2SLC6A3SLC6A4ARMRGPRX4
SCHEMBL7467276 0.77 NR4A2 (0.43) NPBWR1MCHR1SLC6A4PIK3CDPIK3CA
SCHEMBL4445105 0.75 SCN8A (0.49) EPAS1NPBWR1MCHR1SLC6A2SLC6A3
SCHEMBL4437986 0.74 SLC6A4 (0.48) NPBWR1MCHR1SLC6A2SLC6A3SLC6A4
SCHEMBL4704057 0.72 SLC6A4 (0.43) EPAS1SLC6A2SLC6A3SLC6A4MRGPRX4
SCHEMBL1340366 0.72 L3MBTL1 (0.59) EPAS1SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622227-A Biaryl and biheteroaryl compounds useful in treating iron disorders XENON PHARMACEUTICALS INC 2010-01-06 CN disclosed
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 EPAS1 2035/4885NPBWR1 1543/4885MCHR1 158/4885

“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.