SCHEMBL6405300

SCHEMBL6405300

CCn1c(SCC(=O)OC)nnc1-c1ccc(O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.80
ALDH1A1 P00352 5/20 0.78
TP53 P04637 1/20 0.78
LMNA P02545 5/20 0.67
RAB9A P51151 1/20 0.58
TSHR P16473 2/20 0.57
MEN1 O00255 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
POLB P06746 1/20 0.56
ALPG P10696 3/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
ALOX12 P18054 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL6405883 0.89 GAA (1.00) GAAALDH1A1TP53LMNARAB9A
SCHEMBL6407529 0.85 GAA (0.71) GAAALDH1A1TP53LMNARAB9A
SCHEMBL4199249 0.82 ALDH1A1 (0.58) GAAALDH1A1TP53LMNARAB9A
SCHEMBL4210772 0.80 LMNA (0.84) GAAALDH1A1TP53LMNARAB9A
SCHEMBL18559316 0.80 LMNA (1.00) GAAALDH1A1TP53LMNARAB9A
SCHEMBL4216784 0.79 HDAC2 (0.61) GAAALDH1A1TP53LMNARAB9A
SCHEMBL4200193 0.78 LMNA (0.84) GAAALDH1A1TP53LMNARAB9A
SCHEMBL4198392 0.78 LMNA (0.84) GAAALDH1A1TP53LMNARAB9A
SCHEMBL15731825 0.78 LMNA (0.58) GAAALDH1A1TP53LMNARAB9A
SCHEMBL4203779 0.78 LMNA (0.82) GAAALDH1A1TP53LMNARAB9A

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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT GAA 85/4885ALDH1A1 720/4885TP53 1524/4885

“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.