SCHEMBL6405039

SCHEMBL6405039

COc1ccccc1-n1c(SCC(=O)OCc2ccccc2)nnc1-c1cccc(C)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 1/20 0.50
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL6407998 0.93 TSHR (0.72) TSHRL3MBTL1GAALMNANPC1
SCHEMBL6403527 0.91 TSHR (0.66) TSHRL3MBTL1GAALMNANPC1
SCHEMBL4234280 0.87 TSHR (0.63) TSHRL3MBTL1GAALMNANPC1
SCHEMBL6410634 0.87 CYP3A4 (0.61) TSHRL3MBTL1NPC1ALDH1A1TP53
SCHEMBL6403249 0.86 MAPK1 (0.57) TSHRL3MBTL1LMNAALDH1A1HPGD
SCHEMBL6404903 0.85 TSHR (0.57) TSHRL3MBTL1NPC1ALDH1A1
SCHEMBL6403209 0.82 TSHR (0.62) TSHRL3MBTL1GAALMNANPC1
SCHEMBL6407843 0.82 NPC1 (0.63) TSHRL3MBTL1NPC1ALDH1A1NPSR1
SCHEMBL6403434 0.81 ALDH1A1 (0.63) TSHRL3MBTL1GAALMNAALDH1A1
SCHEMBL6404742 0.81 LMNA (0.58) TSHRLMNAALDH1A1HPGDUSP2

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 TSHR 3470/4885L3MBTL1 2749/4885GAA 85/4885

“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.