SCHEMBL4434971

SCHEMBL4434971

Cc1cc(F)ccc1Oc1ccc(Cl)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.54
SLC6A2 P23975 5/20 0.54
SLC6A3 Q01959 3/20 0.54
SCN8A Q9UQD0 2/20 0.53
SCN10A Q9Y5Y9 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.47
SLC22A12 Q96S37 1/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL4445105 0.91 SCN8A (0.49) SLC6A4SLC6A2SLC6A3SCN8ASCN10A
SCHEMBL5990371 0.88 SCN8A (0.50) SLC6A4SLC6A2SLC6A3SCN8ASCN10A
SCHEMBL4439280 0.88 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3SCN8ASCN10A
SCHEMBL807773 0.88 SLC6A2 (0.59) SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4
SCHEMBL19563626 0.84 SCN8A (0.46) SLC6A4SLC6A2SLC6A3SCN8ASCN10A
SCHEMBL5992341 0.83 SCN8A (0.47) SLC6A4SLC6A2SLC6A3SCN8ASCN10A
SCHEMBL4441083 0.82 SLC6A2 (0.64) SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4
SCHEMBL19524195 0.82 SCN8A (0.46) SLC6A4SLC6A2SLC6A3SCN8ASCN10A
SCHEMBL4440723 0.80 MEN1 (0.48) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4437986 0.80 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3SCN8ASCN10A

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 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.