SCHEMBL4173293

SCHEMBL4173293

N=C(N)SCc1c(Cl)ccc2c1oc1c(CSC(=N)N)c(Cl)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 2/20 0.54
BACE1 P56817 1/20 0.53
IDO1 P14902 13/20 0.49
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
NOS1 P29475 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41

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
SCHEMBL4169494 0.81 SLC11A2 (0.54) SLC11A2BACE1IDO1SMN1; SMN2TAAR1
SCHEMBL4170444 0.81 SLC11A2 (0.54) SLC11A2BACE1IDO1SMN1; SMN2NOS1
SCHEMBL13908675 0.81 SLC11A2 (0.54) SLC11A2BACE1IDO1SMN1; SMN2NOS1
Bromide SCHEMBL4166537 0.79 SLC11A2 (0.53) SLC11A2BACE1IDO1SMN1; SMN2TAAR1
Bromide SCHEMBL4167290 0.79 SLC11A2 (0.53) SLC11A2BACE1IDO1HTTSMN1; SMN2
Bromide SCHEMBL4023680 0.79 SLC11A2 (0.53) SLC11A2BACE1IDO1SMN1; SMN2NOS1
SCHEMBL13007594 0.75 BACE1 (0.77) SLC11A2BACE1IDO1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL3109307 0.74 BACE1 (0.75) SLC11A2BACE1IDO1HTTSMN1; SMN2
SCHEMBL4155854 0.70 SLC11A2 (1.00) SLC11A2IDO1HTTSMN1; SMN2LMNA
Bromide SCHEMBL4161416 0.69 SLC11A2 (0.97) SLC11A2IDO1HTTSMN1; SMN2LMNA

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 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 SLC11A2 77/4885BACE1 2581/4885IDO1 720/4885

“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.