SCHEMBL6407799

SCHEMBL6407799

COc1ccc(-c2nnc(SCC(C)=O)n2-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
HPGD P15428 3/20 0.74
LMNA P02545 2/20 0.71
ALPG P10696 2/20 0.70
CDC25A P30304 2/20 0.70
CDC25B P30305 2/20 0.70
PKM P14618 1/20 0.66
MAPT P10636 3/20 0.64
NPSR1 Q6W5P4 2/20 0.61
KDM4E B2RXH2 1/20 0.59
THRB P10828 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
POLB P06746 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL6402656 0.90 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL6211327 0.89 CDC25A (0.83) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL6408488 0.88 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL6211001 0.86 MAPT (0.82) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL12311688 0.86 LMNA (0.74) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL6404073 0.83 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL6193193 0.83 CDC25A (0.74) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL4143469 0.82 ALPG (1.00) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL6404885 0.82 TSHR (0.72) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL6405572 0.81 HPGD (0.73) ALDH1A1MEN1KMT2AHPGDLMNA

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 ALDH1A1 720/4885MEN1 3562/4885KMT2A 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.