SCHEMBL3685690

SCHEMBL3685690

N=C(N)SCc1cccc2c1sc1c(CSC(=N)N)cc(F)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.50
HPGD P15428 2/20 0.50
SLC11A2 P49281 2/20 0.49
IDO1 P14902 9/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TAAR1 Q96RJ0 3/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 1/20 0.40
STAT6 P42226 1/20 0.40
BACE1 P56817 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.38
HIF1A Q16665 1/20 0.38
NOS1 P29475 2/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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 SCHEMBL4018393 0.99 HTT (0.49) HTTHPGDSLC11A2IDO1SMN1; SMN2
SCHEMBL4019275 0.87 HTT (0.63) HTTHPGDSLC11A2IDO1SMN1; SMN2
Bromide SCHEMBL4166299 0.86 HTT (0.61) HTTHPGDSLC11A2IDO1SMN1; SMN2
SCHEMBL4166529 0.83 CYP1A2 (0.50) HTTHPGDSLC11A2IDO1SMN1; SMN2
Bromide SCHEMBL4161301 0.82 CYP1A2 (0.49) HTTHPGDSLC11A2IDO1SMN1; SMN2
SCHEMBL4160541 0.76 SLC11A2 (0.76) HTTHPGDSLC11A2IDO1SMN1; SMN2
Bromide SCHEMBL4162322 0.75 SLC11A2 (0.74) HTTHPGDSLC11A2IDO1SMN1; SMN2
SCHEMBL4168870 0.75 HTT (0.49) HTTHPGDSLC11A2IDO1SMN1; SMN2
SCHEMBL4155956 0.75 CYP2A6 (0.31)
Bromide SCHEMBL4016336 0.74 HTT (0.48) HTTHPGDSLC11A2IDO1SMN1; 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 6 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
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US claimed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 WO 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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH HTT 583/4885HPGD 1088/4885SLC11A2 77/4885

“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.