SCHEMBL6405883

SCHEMBL6405883

CCn1c(SCC(=O)OC)nnc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 1.00
ALDH1A1 P00352 6/20 0.80
TP53 P04637 1/20 0.80
POLB P06746 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 2/20 0.61
ALPL P05186 1/20 0.61
MAPT P10636 1/20 0.61
ALPG P10696 1/20 0.61
ALOX12 P18054 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TSHR P16473 2/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 3/20 0.59
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.59
RECQL P46063 1/20 0.59
NOD2 Q9HC29 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL6405300 0.89 GAA (0.80) GAAALDH1A1TP53POLBSMN1; SMN2
SCHEMBL5744558 0.87 GAA (0.76) GAAALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL5997193 0.86 GAA (0.76) GAAALDH1A1TP53POLBSMN1; SMN2
SCHEMBL6407529 0.83 GAA (0.71) GAAALDH1A1TP53POLBKDM4E
SCHEMBL4208241 0.83 ALDH1A1 (0.80) GAAALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL13831528 0.82 TP53 (0.74) GAAALDH1A1TP53POLBSMN1; SMN2
SCHEMBL4209535 0.81 ALPG (0.74) GAAALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL4214150 0.81 KMT2A (0.69) GAAALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL14475632 0.81 LMNA (0.72) GAAALDH1A1TP53POLBSMN1; SMN2
SCHEMBL6404088 0.80 ALDH1A1 (0.78) GAAALDH1A1TP53MAPTALPG

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.