SCHEMBL4437757

SCHEMBL4437757

N#Cc1ccc(Sc2ccc(Cl)cc2CBr)c(CBr)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
SLC6A4 P31645 5/20 0.41
SLC6A3 Q01959 3/20 0.41
KCNH2 Q12809 1/20 0.41
SLC6A2 P23975 2/20 0.40
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
IDH1 O75874 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
NOS1 P29475 2/20 0.34

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
SCHEMBL28785178 0.88 AR (0.40) ARMAOAMAOBSLC6A4SLC6A3
SCHEMBL20196215 0.78 CYP2A6 (0.36) ARMAOBSLC6A4SLC6A3KCNH2
SCHEMBL3680873 0.76 IDO1 (0.52) ARMAOAMAOBSLC6A4SLC6A3
SCHEMBL27794941 0.76 AR (0.50) ARMAOAMAOBSLC6A4SLC6A3
Bromide SCHEMBL4440423 0.76 IDO1 (0.53) SLC6A4SLC6A3SLC6A2CYP2D6CYP1A2
SCHEMBL7635636 0.75 AR (0.64) ARMAOAMAOBSLC6A4SLC6A3
SCHEMBL406876 0.74 VCAM1 (0.44) ARMAOAMAOBSLC6A4SLC6A3
SCHEMBL30353359 0.74 VCAM1 (0.44) ARMAOAMAOBSLC6A4SLC6A3
SCHEMBL4440433 0.72 AR (0.60) ARMAOAMAOBSLC6A4SLC6A3
SCHEMBL3872780 0.72 GSK3B (0.39) SLC6A4SLC6A3KCNH2SLC6A2ALDH1A1

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 AR 2913/4885MAOA 360/4885MAOB 218/4885

“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.