SCHEMBL6001863

SCHEMBL6001863

c1csc(-c2nc(Oc3ccc4c(c3)OCO4)c3ccccc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.52
LMNA P02545 7/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPK1 P28482 3/20 0.47
USP2 O75604 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
ALOX15 P16050 2/20 0.47
CYP2C19 P33261 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
RPS6KB2 Q9UBS0 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
SCHEMBL6001834 0.82 KDM4E (0.62) LMNARAB9ATP53SMN1; SMN2NPC1
SCHEMBL6001405 0.81 SMN1; SMN2 (0.57) GBA1LMNARAB9ATP53SMN1; SMN2
SCHEMBL6001935 0.79 LMNA (0.55) LMNARAB9ATP53SMN1; SMN2NPC1
SCHEMBL6001380 0.76 PDE5A (0.67) GBA1LMNATP53ALDH1A1MEN1
SCHEMBL6001165 0.75 KDM4E (0.54) GBA1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL30969595 0.73 HPGD (0.57) LMNARAB9ATP53SMN1; SMN2NPC1
SCHEMBL5999882 0.68 LMNA (0.59) LMNARAB9ATP53SMN1; SMN2NPC1
SCHEMBL6001908 0.67 PTGS2 (0.49) LMNARAB9ATP53SMN1; SMN2NPC1
SCHEMBL38652052 0.67 KDM4E (0.47) GBA1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL6001899 0.67 MAPT (0.55) LMNARAB9ATP53SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG GBA1 38/4885LMNA 706/4885RAB9A 4177/4885

“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.