SCHEMBL3687158

SCHEMBL3687158

Cc1c(C)c(CSC(=N)N)c(C)c(CSC(=N)N)c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 1/20 0.68
TP53 P04637 2/20 0.56
CYP3A4 P08684 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
HIF1A Q16665 1/20 0.56
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
IDO1 P14902 10/20 0.50
NOS1 P29475 3/20 0.48
ATP1A1 P05023 1/20 0.44
ATP1B1 P05026 1/20 0.44
ATP1A3 P13637 1/20 0.44
ATP1B2 P14415 1/20 0.44
ATP1A2 P50993 1/20 0.44
ATP1B3 P54709 1/20 0.44

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
Hydrochloric Acid SCHEMBL4008750 0.98 SLC11A2 (0.66) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
SCHEMBL13007575 0.98 SLC11A2 (0.64) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
SCHEMBL2807819 0.95 SLC11A2 (0.73) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
Bromide SCHEMBL2810291 0.93 SLC11A2 (0.70) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
SCHEMBL3690053 0.93 SLC11A2 (0.64) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
Bromide SCHEMBL4008068 0.91 SLC11A2 (0.62) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
SCHEMBL3687900 0.87 SLC11A2 (0.63) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL2811607 0.85 SLC11A2 (0.61) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
SCHEMBL3688145 0.81 SLC11A2 (0.61) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
SCHEMBL3688121 0.81 SLC11A2 (1.00) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2

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 9 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
EP-2068855-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-06-17 EP claimed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 WO claimed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO disclosed
EP-2068855-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-06-17 EP disclosed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 WO disclosed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH SLC11A2 175/4885TP53 1837/4885CYP3A4 108/4885

“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.