SCHEMBL4445105

SCHEMBL4445105

Cc1cc(F)ccc1Oc1cc(Cl)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.49
SCN10A Q9Y5Y9 2/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
EPAS1 Q99814 1/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC22A12 Q96S37 1/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
MAPT P10636 2/20 0.41
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 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
SCHEMBL4434971 0.91 SLC6A4 (0.54) SCN8ASCN10AKMT2AMEN1ALDH1A1
SCHEMBL4437986 0.87 SLC6A4 (0.48) SCN8ASCN10ASLC6A4SLC6A2SLC6A3
SCHEMBL5990371 0.87 SCN8A (0.50) SCN8ASCN10AKMT2AMEN1ALDH1A1
SCHEMBL4439280 0.83 SLC6A4 (0.53) SCN8ASCN10ASLC6A4SLC6A2SLC6A3
SCHEMBL4442222 0.82 HTR2C (0.54) KMT2AMEN1EPAS1SLC6A4SLC6A2
SCHEMBL5992341 0.82 SCN8A (0.47) SCN8ASCN10AKMT2AMEN1ALDH1A1
SCHEMBL19524195 0.81 SCN8A (0.46) SCN8ASCN10AKMT2AMEN1ALDH1A1
SCHEMBL19563626 0.80 SCN8A (0.46) SCN8ASCN10AKMT2AMEN1ALDH1A1
SCHEMBL4440723 0.80 MEN1 (0.48) KMT2AMEN1SLC6A4SLC6A2SLC6A3
SCHEMBL807773 0.79 SLC6A2 (0.59) KMT2AMEN1HPGDSLC6A4SLC6A2

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 SCN8A 3291/4885SCN10A 3093/4885KMT2A 1723/4885

“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.