SCHEMBL3690551

SCHEMBL3690551

N=C(N)SCc1cccc(CSC(=N)N)c1-c1c(CSC(=N)N)cccc1CSC(=N)N

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.65
HPGD P15428 1/20 0.65
IDO1 P14902 12/20 0.63
TAAR1 Q96RJ0 3/20 0.63
LMNA P02545 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
SLC11A2 P49281 2/20 0.62
NOS1 P29475 2/20 0.58
NOS3 P29474 1/20 0.57
NOS2 P35228 1/20 0.57
MAPT P10636 1/20 0.53
CYP1A2 P05177 1/20 0.49
PRMT1 Q99873 1/20 0.49

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 SCHEMBL4445136 0.98 HTT (0.62) HTTHPGDIDO1TAAR1LMNA
SCHEMBL3684767 0.90 HTT (0.59) HTTHPGDIDO1TAAR1LMNA
Bromide SCHEMBL4018130 0.88 HTT (0.57) HTTHPGDIDO1TAAR1LMNA
SCHEMBL14068776 0.88 MAPT (0.61) HTTHPGDIDO1TAAR1LMNA
Bromide SCHEMBL3686933 0.87 MAPT (0.59) HTTHPGDIDO1TAAR1LMNA
SCHEMBL3691297 0.86 NOS1 (0.62) HTTHPGDIDO1TAAR1LMNA
SCHEMBL2812696 0.86 IDO1 (0.74) HTTHPGDIDO1TAAR1LMNA
Hydrochloric Acid SCHEMBL22263112 0.84 IDO1 (0.75) HTTHPGDIDO1TAAR1LMNA
Bromide SCHEMBL2810146 0.84 IDO1 (0.71) HTTHPGDIDO1TAAR1LMNA
Bromide SCHEMBL4016347 0.84 NOS1 (0.60) HTTHPGDIDO1TAAR1LMNA

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
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO claimed
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
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

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 HTT 1363/4885HPGD 575/4885IDO1 269/4885

“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.