SCHEMBL3686732

SCHEMBL3686732

Cc1c(CSC(=N)N)cccc1CSC(=N)N

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.61
HPGD P15428 2/20 0.61
MAPT P10636 2/20 0.60
IDO1 P14902 10/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
TAAR1 Q96RJ0 3/20 0.59
LMNA P02545 2/20 0.59
SLC11A2 P49281 3/20 0.59
TP53 P04637 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
HIF1A Q16665 1/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NOS1 P29475 2/20 0.54
NOS3 P29474 1/20 0.53
NOS2 P35228 1/20 0.53

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 SCHEMBL3997398 0.98 HTT (0.59) HTTHPGDMAPTIDO1SMN1; SMN2
SCHEMBL14068776 0.85 MAPT (0.61) HTTHPGDMAPTIDO1SMN1; SMN2
SCHEMBL3690551 0.83 HTT (0.65) HTTHPGDMAPTIDO1SMN1; SMN2
Bromide SCHEMBL3686933 0.83 MAPT (0.59) HTTHPGDMAPTIDO1SMN1; SMN2
SCHEMBL2812696 0.83 IDO1 (0.74) HTTHPGDMAPTIDO1SMN1; SMN2
Bromide SCHEMBL4445136 0.82 HTT (0.62) HTTHPGDMAPTIDO1SMN1; SMN2
Bromide SCHEMBL2810146 0.81 IDO1 (0.71) HTTHPGDMAPTIDO1SMN1; SMN2
Hydrochloric Acid SCHEMBL22263112 0.81 IDO1 (0.75) HTTHPGDMAPTIDO1SMN1; SMN2
SCHEMBL4017476 0.80 HTT (0.60) HTTHPGDMAPTIDO1SMN1; SMN2
SCHEMBL3681446 0.80 HTT (0.61) HTTHPGDMAPTIDO1SMN1; SMN2

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 HTT 311/4885HPGD 740/4885MAPT 323/4885

“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.