SCHEMBL2810768

SCHEMBL2810768

Cc1cc(CNC(=N)S)c(O)c(CNC(=N)S)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSPA5 P11021 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
CYP2D6 P10635 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACHE P22303 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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 SCHEMBL2813570 0.98 AMY1A (0.38) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL2816463 0.80 ACHE (0.35) SMN1; SMN2GAANPC1RAB9AACHE
Bromide SCHEMBL2813893 0.79 ACHE (0.34) SMN1; SMN2GAANPC1RAB9AACHE
SCHEMBL2809272 0.76 PGK1 (0.36) SMN1; SMN2GAANPC1RAB9AHSD17B10
SCHEMBL2809139 0.76 PGK1 (0.36) SMN1; SMN2GAANPC1RAB9AHSD17B10
Bromide SCHEMBL2810233 0.74 PGK1 (0.35) SMN1; SMN2GAANPC1RAB9AHSD17B10
Hydrochloric Acid SCHEMBL2807752 0.74 PGK1 (0.35) SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL28112931 0.73 AMY1A (0.50) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL2815631 0.72 SETDB1 (0.31)
SCHEMBL2813548 0.71 HPGD (0.36) GAANPC1RAB9AHSD17B10MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US claimed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US 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 AMY1A 1875/4885CYP2C9 90/4885CYP2C19 86/4885

“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.