SCHEMBL6409274

SCHEMBL6409274

COc1ccc(-c2nnc(SCC(=O)OCc3ccccc3)n2CC(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
ALDH1A1 P00352 3/20 0.62
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.56
ALOX15 P16050 2/20 0.56
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.53
GAA P10253 1/20 0.52
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
CPB1 P15086 1/20 0.48

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
SCHEMBL6411042 0.89 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1ALOX15TSHR
SCHEMBL6404088 0.89 ALDH1A1 (0.78) ALDH1A1KMT2AMEN1ALOX15TSHR
SCHEMBL6404073 0.83 ALDH1A1 (0.63) HTTALDH1A1KMT2AMEN1MAPK1
SCHEMBL6404787 0.82 CPB1 (0.64) HTTALDH1A1KMT2AMEN1ALOX15
SCHEMBL4208335 0.82 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1ALOX15TSHR
SCHEMBL6405226 0.81 TP53 (0.56) ALDH1A1KMT2AMEN1ALOX15TSHR
SCHEMBL6402175 0.81 ALDH1A1 (0.60) HTTALDH1A1KMT2AMEN1TSHR
SCHEMBL6404742 0.79 LMNA (0.58) ALDH1A1KMT2AMEN1TSHRMAPK1
SCHEMBL5423806 0.78 ALDH1A1 (0.64) HTTALDH1A1KMT2AMEN1ALOX15
SCHEMBL3300655 0.75 ALPG (0.53) HTTALDH1A1KMT2AMEN1TSHR

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 HTT 2113/4885ALDH1A1 720/4885KMT2A 2263/4885

“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.