SCHEMBL3686743

SCHEMBL3686743

N=C(N)SCCc1cc(F)ccc1Sc1ccc(F)cc1CSC(=N)N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.47
NOS1 P29475 5/20 0.46
CYP2D6 P10635 2/20 0.46
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.42
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC11A2 P49281 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 4/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
BACE1 P56817 1/20 0.38

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
Bromide SCHEMBL4439255 0.99 LMNA (0.48) IDO1NOS1CYP2D6NOS3NOS2
SCHEMBL3685521 0.93 IDO1 (0.49) IDO1NOS1CYP2D6NOS3NOS2
Bromide SCHEMBL4564201 0.92 IDO1 (0.50) IDO1NOS1CYP2D6NOS3NOS2
SCHEMBL3684003 0.91 IDO1 (0.56) IDO1NOS1NOS3NOS2LMNA
Bromide SCHEMBL4442763 0.90 IDO1 (0.54) IDO1NOS1NOS3NOS2LMNA
SCHEMBL3685699 0.86 IDO1 (0.50) IDO1NOS1NOS3NOS2LMNA
Bromide SCHEMBL4442320 0.84 IDO1 (0.49) IDO1NOS1LMNASLC11A2MAPT
SCHEMBL3683307 0.84 IDO1 (0.49) IDO1NOS1NOS3NOS2LMNA
SCHEMBL4919568 0.84 IDO1 (0.49) IDO1NOS1NOS3NOS2LMNA
Bromide SCHEMBL4438707 0.83 IDO1 (0.48) IDO1NOS1NOS3NOS2LMNA

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 10 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 claimed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO claimed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US claimed
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO 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
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
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US 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 IDO1 269/4885NOS1 1119/4885CYP2D6 70/4885

“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.