SCHEMBL3680873

SCHEMBL3680873

N#Cc1ccc(Sc2ccc(Cl)cc2CSC(=N)N)c(CSC(=N)N)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.52
HTT P42858 4/20 0.52
CYP1A2 P05177 2/20 0.45
PRMT1 Q99873 1/20 0.45
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAPT P10636 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
AR P10275 1/20 0.36

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 SCHEMBL4440423 0.99 IDO1 (0.53) IDO1HTTCYP1A2PRMT1LMNA
SCHEMBL3681107 0.92 IDO1 (0.47) IDO1HTTCYP1A2PRMT1LMNA
SCHEMBL3752992 0.88 IDO1 (0.66) IDO1HTTCYP1A2PRMT1LMNA
SCHEMBL3680875 0.87 IDO1 (0.40) IDO1HTTCYP1A2PRMT1LMNA
Bromide SCHEMBL4437970 0.86 IDO1 (0.67) IDO1HTTCYP1A2PRMT1LMNA
Bromide SCHEMBL4440425 0.86 IDO1 (0.41) IDO1HTTCYP1A2PRMT1LMNA
SCHEMBL3685292 0.81 IDO1 (0.57) IDO1HTTCYP1A2PRMT1LMNA
Bromide SCHEMBL4434923 0.80 IDO1 (0.58) IDO1HTTCYP1A2PRMT1LMNA
SCHEMBL4917614 0.80 IDO1 (0.56) IDO1HTTCYP1A2PRMT1LMNA
Bromide SCHEMBL4915787 0.79 IDO1 (0.57) IDO1HTTCYP1A2PRMT1LMNA

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 269/4885HTT 1363/4885CYP1A2 71/4885

“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.