SCHEMBL4438697

SCHEMBL4438697

Cc1ccccc1Oc1cccc(Cl)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.50
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPAS1 Q99814 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HSD11B1 P28845 8/20 0.41
NR1I2 O75469 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HSD11B2 P80365 1/20 0.39

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
SCHEMBL13970688 0.87 EPAS1 (0.49) EPAS1ALDH1A1HSD11B1NR1I2SLC6A2
SCHEMBL11420853 0.85 AR (0.59) ARMEN1NPC1TSHRRAB9A
SCHEMBL29185416 0.85 TSHR (0.56) ARMEN1NPC1TSHRRAB9A
SCHEMBL11432978 0.84 AR (0.50) ARMEN1NPC1TSHRRAB9A
SCHEMBL8486101 0.83 MEN1 (0.54) ARMEN1NPC1TSHRRAB9A
SCHEMBL11440814 0.82 RAB9A (0.48) ARMEN1NPC1TSHRRAB9A
SCHEMBL4446770 0.80 EPAS1 (0.49) AREPAS1HSD11B1NR1I2SLC6A2
SCHEMBL3755354 0.80 DPP4 (0.58) TSHRKMT2AEPAS1ALDH1A1CYP1A2
SCHEMBL127000 0.80 TSHR (0.65) ARMEN1NPC1TSHRRAB9A
SCHEMBL29637724 0.80 TSHR (0.65) ARMEN1NPC1TSHRRAB9A

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 2913/4885MEN1 618/4885NPC1 248/4885

“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.