SCHEMBL3686751

SCHEMBL3686751

Cc1ccc(Sc2ccccc2CSC(=N)N)c(CSC(=N)N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.50
SLC6A3 Q01959 5/20 0.50
SLC6A2 P23975 4/20 0.50
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 2/20 0.47
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
CYP3A4 P08684 3/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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 SCHEMBL4440737 0.99 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2TAAR1IDO1
SCHEMBL14089594 0.94 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2TAAR1IDO1
SCHEMBL3694691 0.91 TAAR1 (0.50) SLC6A4SLC6A3SLC6A2TAAR1IDO1
Bromide SCHEMBL4448449 0.90 TAAR1 (0.49) SLC6A4SLC6A3SLC6A2TAAR1IDO1
SCHEMBL3684271 0.86 IDO1 (0.62) TAAR1IDO1SMN1; SMN2HTTLMNA
SCHEMBL3685349 0.85 IDO1 (0.51) SLC6A4SLC6A3SLC6A2TAAR1IDO1
Bromide SCHEMBL4442782 0.85 IDO1 (0.61) TAAR1IDO1SMN1; SMN2HTTLMNA
Bromide SCHEMBL4440550 0.84 IDO1 (0.50) SLC6A4SLC6A3SLC6A2TAAR1IDO1
SCHEMBL3685292 0.83 IDO1 (0.57) SLC6A4SLC6A3SLC6A2TAAR1IDO1
SCHEMBL3683307 0.83 IDO1 (0.49) SLC6A4SLC6A2TAAR1IDO1SMN1; SMN2

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 9 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
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 SLC6A4 724/4885SLC6A3 233/4885SLC6A2 247/4885

“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.