SCHEMBL4440976

SCHEMBL4440976

Fc1ccc(Oc2cc(F)ccc2CBr)c(CBr)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.42
SLC6A2 P23975 5/20 0.42
SLC6A3 Q01959 5/20 0.42
HTR2A P28223 8/20 0.41
KCNH2 Q12809 6/20 0.39

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
SCHEMBL4436450 0.92 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL4441929 0.89 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL4442267 0.89 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL27794881 0.82 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL4440290 0.82 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL16111276 0.79 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL30200200 0.79 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL1663130 0.79 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL4439241 0.77 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL2904519 0.77 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3HTR2AKCNH2

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 724/4885SLC6A2 247/4885SLC6A3 233/4885

“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.