SCHEMBL3681970

SCHEMBL3681970

N=C(N)SCc1cc(F)ccc1Sc1ccc(C(F)(F)F)cc1CSC(=N)N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.52
ALDH1A1 P00352 3/20 0.41
ALDH3A1 P30838 3/20 0.41
ALDH2 P05091 2/20 0.41
MAPT P10636 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
HTT P42858 3/20 0.38
DDR1 Q08345 1/20 0.37
NOS1 P29475 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SLC11A2 P49281 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 SCHEMBL4439279 0.99 IDO1 (0.51) IDO1ALDH1A1ALDH3A1ALDH2MAPT
SCHEMBL3684003 0.89 IDO1 (0.56) IDO1ALDH1A1ALDH3A1MAPTSLC6A2
Bromide SCHEMBL4442763 0.87 IDO1 (0.54) IDO1ALDH1A1ALDH3A1MAPTSLC6A2
SCHEMBL3683730 0.87 IDO1 (0.52) IDO1ALDH1A1ALDH3A1ALDH2MAPT
Bromide SCHEMBL4441931 0.86 IDO1 (0.51) IDO1ALDH1A1ALDH3A1ALDH2MAPT
SCHEMBL3685699 0.83 IDO1 (0.50) IDO1ALDH1A1ALDH3A1MAPTSLC6A2
SCHEMBL4919568 0.82 IDO1 (0.49) IDO1ALDH1A1ALDH3A1MAPTSLC6A2
Bromide SCHEMBL4442320 0.82 IDO1 (0.49) IDO1ALDH1A1ALDH3A1MAPTSLC6A2
SCHEMBL3683307 0.82 IDO1 (0.49) IDO1MAPTSLC6A2SLC6A4HTT
SCHEMBL3686743 0.81 IDO1 (0.47) IDO1MAPTHTTNOS1LMNA

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 269/4885ALDH1A1 844/4885ALDH3A1 432/4885

“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.