SCHEMBL6409643

SCHEMBL6409643

O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.65
MDM2 Q00987 1/20 0.65
THRB P10828 1/20 0.61
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
TSHR P16473 3/20 0.55
ALOX15 P16050 2/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
POLB P06746 1/20 0.55
USP2 O75604 1/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
CDC25A P30304 3/20 0.53
CDC25B P30305 3/20 0.53

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
SCHEMBL6404213 0.94 MEN1 (0.62) TP53MDM2THRBMEN1KMT2A
SCHEMBL6404543 0.92 MAPT (0.64) TP53MDM2MEN1KMT2ALMNA
SCHEMBL6403977 0.91 LMNA (0.56) TP53MDM2THRBMEN1KMT2A
SCHEMBL6405086 0.90 MAPT (0.61) TP53LMNATSHRALOX15ALDH1A1
SCHEMBL5332243 0.90 ALDH1A1 (0.67) TP53MDM2THRBMEN1KMT2A
SCHEMBL6404294 0.88 MEN1 (0.53) TP53MDM2THRBMEN1KMT2A
SCHEMBL6404073 0.87 ALDH1A1 (0.63) TP53MEN1KMT2ALMNAMAPK1
SCHEMBL6403249 0.86 MAPK1 (0.57) TP53MEN1KMT2ALMNATSHR
SCHEMBL6402175 0.85 ALDH1A1 (0.60) TP53MEN1KMT2ALMNATSHR
SCHEMBL5331381 0.85 TP53 (0.74) TP53MDM2THRBMEN1KMT2A

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 TP53 1524/4885MDM2 1609/4885THRB 1479/4885

“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.