SCHEMBL4440969

SCHEMBL4440969

O=C(c1ccccc1CBr)c1ccc(F)cc1CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 3/20 0.36
PKM P14618 2/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
NPC1 O15118 3/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 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
SCHEMBL4445169 0.90 CES2 (0.39) CES2CES1SMN1; SMN2MAPTPKM
SCHEMBL3135339 0.84 FOLH1 (0.41) CES2CES1SMN1; SMN2MAPTLMNA
SCHEMBL14089410 0.80 DCLRE1B (0.50) CES2CES1SMN1; SMN2MAPTPKM
SCHEMBL4438718 0.80 RECQL (0.45) SMN1; SMN2MAPTNPC1LMNAMEN1
SCHEMBL21815740 0.79 KEAP1 (0.48) CES2CES1MAPTPKMLMNA
SCHEMBL2280625 0.75 ALDH1A1 (0.42) SMN1; SMN2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5188661 0.74 CES2 (0.47) CES2CES1SMN1; SMN2MAPTPKM
SCHEMBL28826713 0.74 CES2 (0.44) CES2CES1NPC1LMNAHPGD
SCHEMBL20157513 0.74 NPC1 (0.46) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
SCHEMBL7703503 0.73 FFAR4 (0.45) SMN1; SMN2MAPTNPC1LMNAHPGD

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 CES2 2315/4885CES1 848/4885SMN1; SMN2 1564/4885

“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.