SCHEMBL3687722

SCHEMBL3687722

N=C(N)SCc1ccccc1Sc1ccc2ccccc2c1CSC(=N)N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 5/20 0.48
CYP3A4 P08684 3/20 0.48
TP53 P04637 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SLC11A2 P49281 2/20 0.47
HSD17B10 Q99714 1/20 0.47
IDO1 P14902 5/20 0.47
LMNA P02545 3/20 0.47
TAAR1 Q96RJ0 2/20 0.47
NOS1 P29475 2/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
IFNAR1 P17181 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
Bromide SCHEMBL4438773 0.99 HTT (0.57) HTTHPGDSMN1; SMN2CYP3A4TP53
SCHEMBL3683836 0.86 HTT (0.49) HTTHPGDSMN1; SMN2CYP3A4TP53
Bromide SCHEMBL4920739 0.85 HTT (0.48) HTTHPGDSMN1; SMN2CYP3A4TP53
SCHEMBL3684271 0.84 IDO1 (0.62) HTTHPGDSMN1; SMN2CYP3A4TP53
Bromide SCHEMBL4442782 0.82 IDO1 (0.61) HTTHPGDSMN1; SMN2CYP3A4TP53
SCHEMBL2813545 0.81 HTT (0.66) HTTHPGDSMN1; SMN2CYP3A4TP53
Bromide SCHEMBL2810299 0.80 HTT (0.64) HTTHPGDSMN1; SMN2CYP3A4TP53
SCHEMBL3685349 0.77 IDO1 (0.51) HTTHPGDSMN1; SMN2CYP3A4CYP1A2
Bromide SCHEMBL4440550 0.76 IDO1 (0.50) HTTHPGDSMN1; SMN2CYP3A4CYP1A2
SCHEMBL13779244 0.76 HTT (0.96) HTTHPGDSMN1; SMN2CYP3A4TP53

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 11 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
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 HTT 1363/4885HPGD 575/4885SMN1; SMN2 1564/4885

“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.