SCHEMBL4448436

SCHEMBL4448436

OCc1cc(F)ccc1Sc1cc(Cl)ccc1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
PLA2G1B P04054 2/20 0.50
ATG4B Q9Y4P1 2/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC6A4 P31645 7/20 0.49
SLC6A2 P23975 4/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL4448456 0.92 SLC6A4 (0.56) ATMPLA2G1BATG4BKDM4EL3MBTL1
SCHEMBL4436403 0.89 SLC6A4 (0.48) ATMPLA2G1BATG4BKDM4EL3MBTL1
SCHEMBL4442354 0.85 SLC6A4 (0.50) ATMPLA2G1BATG4BKDM4EL3MBTL1
SCHEMBL4437981 0.85 SLC6A4 (0.53) ATMKDM4EL3MBTL1SLC6A4SLC6A2
SCHEMBL11762597 0.83 RHEB (0.53) ATMPLA2G1BATG4BKDM4EL3MBTL1
SCHEMBL11759128 0.82 SLC6A9 (0.43) ATMPLA2G1BATG4BKDM4EL3MBTL1
SCHEMBL4441040 0.81 SLC6A4 (0.50) ATMKDM4EL3MBTL1SLC6A4SLC6A2
SCHEMBL4440726 0.81 SLC6A4 (0.66) PLA2G1BATG4BSLC6A4SLC6A2MEN1
SCHEMBL4440532 0.80 SLC6A4 (0.47) ATMPLA2G1BATG4BKDM4EL3MBTL1
SCHEMBL4439230 0.80 SLC6A4 (0.61) ATMPLA2G1BATG4BNPSR1SLC6A4

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 ATM 4711/4885PLA2G1B 3743/4885ATG4B 4082/4885

“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.