SCHEMBL4160541

SCHEMBL4160541

N=C(N)SCc1cccc2c1oc1c(CSC(=N)N)cc(F)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 2/20 0.76
CYP3A4 P08684 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 1/20 0.54
STAT6 P42226 1/20 0.54
HTT P42858 5/20 0.50
HPGD P15428 2/20 0.50
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
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 SCHEMBL4162322 0.99 SLC11A2 (0.74) SLC11A2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL4155854 0.87 SLC11A2 (1.00) SLC11A2CYP3A4CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL4161416 0.86 SLC11A2 (0.97) SLC11A2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL3691280 0.79 SLC11A2 (0.82) SLC11A2CYP3A4CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL4154083 0.78 SLC11A2 (0.80) SLC11A2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL3685690 0.76 HTT (0.50) SLC11A2CYP3A4CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL4018393 0.75 HTT (0.49) SLC11A2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL4166534 0.74 SLC11A2 (0.41) SLC11A2
SCHEMBL4162281 0.73 SLC11A2 (0.58) SLC11A2CYP3A4CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL4163563 0.72 SLC11A2 (0.56) SLC11A2CYP3A4CYP1A2CYP2D6CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SLC11A2 77/4885CYP3A4 540/4885CYP1A2 313/4885

“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.