SCHEMBL4440723

SCHEMBL4440723

Cc1ccccc1Oc1ccc(F)cc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC6A4 P31645 6/20 0.48
AR P10275 2/20 0.47
MAPK14 Q16539 1/20 0.46
SLC6A2 P23975 5/20 0.41
SLC6A3 Q01959 5/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL4439280 0.91 SLC6A4 (0.53) SLC6A4MAPK14SLC6A2SLC6A3MRGPRX4
SCHEMBL4437986 0.88 SLC6A4 (0.48) SLC6A4MAPK14SLC6A2SLC6A3MRGPRX4
SCHEMBL4704057 0.85 SLC6A4 (0.43) NPC1RAB9ASLC6A4MAPK14SLC6A2
SCHEMBL16317807 0.85 AR (0.62) MEN1NPC1TSHRRAB9AKMT2A
SCHEMBL12725548 0.84 SLC6A4 (0.57) TSHRSLC6A4MAPK14MRGPRX4HTR2A
SCHEMBL127000 0.82 TSHR (0.65) MEN1NPC1TSHRRAB9AKMT2A
SCHEMBL29637724 0.82 TSHR (0.65) MEN1NPC1TSHRRAB9AKMT2A
SCHEMBL15956242 0.81 MEN1 (0.43) MEN1NPC1TSHRRAB9AKMT2A
SCHEMBL8737305 0.81 HTR1A (0.55) MEN1NPC1TSHRRAB9AKMT2A
SCHEMBL17508317 0.81 NPSR1 (0.55) TSHRKMT2ASMN1; SMN2SLC6A4MAPK14

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 MEN1 618/4885NPC1 248/4885TSHR 611/4885

“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.