SCHEMBL2813631

SCHEMBL2813631

N=C(N)SCc1cccc(CSC(=N)N)n1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
SLC11A2 P49281 2/20 0.57
NOS1 P29475 2/20 0.56
IDO1 P14902 13/20 0.55
NOS3 P29474 1/20 0.55
NOS2 P35228 1/20 0.55
HTT P42858 3/20 0.53
HPGD P15428 1/20 0.53
TAAR1 Q96RJ0 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
BACE1 P56817 1/20 0.46

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 SCHEMBL2811541 0.98 LMNA (0.61) LMNASLC11A2NOS1IDO1NOS3
SCHEMBL13067782 0.93 LMNA (0.56) LMNASLC11A2NOS1IDO1NOS3
SCHEMBL17726956 0.89 LMNA (0.56) LMNASLC11A2NOS1IDO1NOS3
Hydrochloric Acid SCHEMBL22282522 0.87 LMNA (0.58) LMNASLC11A2NOS1IDO1NOS3
SCHEMBL860205 0.87 LMNA (0.50) LMNASLC11A2NOS1IDO1NOS3
Hydrochloric Acid SCHEMBL11356922 0.86 LMNA (0.57) LMNASLC11A2NOS1IDO1NOS3
Hydrochloric Acid SCHEMBL860105 0.85 LMNA (0.53) LMNASLC11A2NOS1IDO1NOS3
SCHEMBL10118167 0.80 LMNA (0.43) LMNASLC11A2NOS1IDO1NOS3
SCHEMBL20595673 0.79 LMNA (0.96) LMNASLC11A2NOS1IDO1NOS3
SCHEMBL14355158 0.78 LMNA (0.53) LMNASLC11A2NOS1IDO1NOS3

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 10 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
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 LMNA 3426/4885SLC11A2 175/4885NOS1 1443/4885

“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.