SCHEMBL6403317

SCHEMBL6403317

Cc1ccc(OCc2nnc(SC(C)C(=O)O)n2-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 1.00
ALDH1A1 P00352 3/20 0.78
SMN1; SMN2 Q16637 3/20 0.71
LMNA P02545 3/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
HTT P42858 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
VCP P55072 5/20 0.66
RECQL P46063 1/20 0.59
MAPK1 P28482 1/20 0.59
MAPT P10636 1/20 0.59
GAA P10253 1/20 0.58
USP2 O75604 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL6412224 0.96 PKM (0.92) PKMALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL6405019 0.93 PKM (0.87) PKMALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL6403407 0.85 PKM (0.74) PKMALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL6403187 0.83 VCP (0.86) PKMALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6405274 0.79 GAA (0.74) PKMALDH1A1LMNAL3MBTL1VCP
SCHEMBL6405241 0.78 L3MBTL1 (0.84) PKMALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL6404082 0.76 RXRA (0.74) PKMALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL6408255 0.74 POLB (0.73) PKMALDH1A1LMNAL3MBTL1RECQL
SCHEMBL11887417 0.73 KMT2A (0.80) ALDH1A1SMN1; SMN2LMNAL3MBTL1HTT
SCHEMBL6404099 0.73 NPSR1 (0.65) PKMALDH1A1SMN1; SMN2LMNAL3MBTL1

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 PKM 2155/4885ALDH1A1 720/4885SMN1; SMN2 4793/4885

“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.