SCHEMBL2813530

SCHEMBL2813530

N=C(N)SCc1nnc(CSC(=N)N)n1N

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.46
IDO1 P14902 13/20 0.42
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
SLC11A2 P49281 2/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
LMNA P02545 1/20 0.38

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 SCHEMBL4004919 0.98 NOS1 (0.45) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL18930802 0.75 NOS1 (0.39) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL5450413 0.64 NOS1 (1.00) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL2453690 0.61 NOS1 (0.71) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL2807819 0.61 SLC11A2 (0.73) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL2813631 0.60 LMNA (0.62) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL2807736 0.60
Hydrochloric Acid SCHEMBL6867456 0.60 NOS1 (0.68) NOS1IDO1NOS3NOS2SLC11A2
Hydrochloric Acid SCHEMBL5900169 0.60 NOS1 (0.68) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL3690053 0.59 SLC11A2 (0.64) NOS1IDO1NOS3NOS2SLC11A2

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 8 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-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
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 NOS1 1443/4885IDO1 131/4885NOS3 1065/4885

“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.