SCHEMBL4439280

SCHEMBL4439280

Cc1cc(F)ccc1Oc1ccc(F)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.53
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN8A Q9UQD0 2/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
MAPK14 Q16539 1/20 0.40
LYN P07948 1/20 0.40
BTK Q06187 1/20 0.40

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
SCHEMBL4437986 0.91 SLC6A4 (0.48) SLC6A4NPBWR1MCHR1MRGPRX4PTGS1
SCHEMBL4440723 0.91 MEN1 (0.48) SLC6A4MRGPRX4SLC6A2SLC6A3HTR2A
SCHEMBL4434971 0.88 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HTR2ASCN8A
SCHEMBL4704057 0.84 SLC6A4 (0.43) SLC6A4MRGPRX4SLC6A2SLC6A3PIK3CD
SCHEMBL12725548 0.83 SLC6A4 (0.57) SLC6A4MRGPRX4HTR2AKCNH2MAPK14
SCHEMBL19563641 0.83 SLC6A4 (0.43) SLC6A4MRGPRX4SCN8ASCN10A
SCHEMBL4445105 0.83 SCN8A (0.49) SLC6A4NPBWR1MCHR1SLC6A2SLC6A3
SCHEMBL256798 0.83 MAPT (0.50) SLC6A4PTGS1PTGS2SLC6A2SLC6A3
SCHEMBL4446770 0.82 EPAS1 (0.49) SLC6A4NPBWR1MCHR1MRGPRX4SLC6A2
SCHEMBL26331263 0.81 SLC6A4 (0.40) SLC6A4NPBWR1MCHR1MRGPRX4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC6A4 724/4885NPBWR1 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.