SCHEMBL4436403

SCHEMBL4436403

OCc1cc(F)ccc1Sc1cc(F)ccc1CO

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.48
SLC6A2 P23975 8/20 0.48
ATM Q13315 2/20 0.42
SLC6A3 Q01959 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLA2G1B P04054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
AGBL2 Q5U5Z8 1/20 0.38
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL4437981 0.92 SLC6A4 (0.53) SLC6A4SLC6A2ATMSLC6A3KDM4E
SCHEMBL4441040 0.89 SLC6A4 (0.50) SLC6A4SLC6A2ATMSLC6A3KDM4E
SCHEMBL4448436 0.89 ATM (0.50) SLC6A4SLC6A2ATMSLC6A3KDM4E
SCHEMBL4437710 0.87 APOBEC3G (0.52) SLC6A4SLC6A2SLC6A3APOBEC3G
SCHEMBL4440532 0.87 SLC6A4 (0.47) SLC6A4SLC6A2ATMSLC6A3KDM4E
SCHEMBL4442275 0.87 APOBEC3G (0.52) SLC6A4SLC6A2ATMSLC6A3KDM4E
SCHEMBL27794888 0.86 SLC6A4 (0.50) SLC6A4SLC6A2ATMSLC6A3KDM4E
SCHEMBL4448225 0.85 SLC6A2 (0.43) SLC6A4SLC6A2ATMSLC6A3KDM4E
SCHEMBL4439390 0.84 SLC6A4 (0.47) SLC6A4SLC6A2ATMSLC6A3KDM4E
SCHEMBL4441895 0.82 PTGS2 (0.43) SLC6A4SLC6A2

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 247/4885ATM 4711/4885

“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.