SCHEMBL6402175

SCHEMBL6402175

COc1ccc(-c2nnc(SCC(=O)OCc3ccccc3)n2-c2ccc(C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
HPGD P15428 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALPG P10696 2/20 0.60
CDC25A P30304 2/20 0.60
CDC25B P30305 2/20 0.60
PKM P14618 2/20 0.59
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TP53 P04637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL6404073 0.97 ALDH1A1 (0.63) ALDH1A1HPGDMEN1KMT2AALPG
SCHEMBL6404543 0.92 MAPT (0.64) ALDH1A1HPGDMEN1KMT2ACDC25A
SCHEMBL6404742 0.90 LMNA (0.58) ALDH1A1HPGDMEN1KMT2AALPG
SCHEMBL6405226 0.86 TP53 (0.56) ALDH1A1HPGDMEN1KMT2AALPG
SCHEMBL6408488 0.86 ALDH1A1 (0.70) ALDH1A1HPGDMEN1KMT2AALPG
SCHEMBL6404213 0.86 MEN1 (0.62) ALDH1A1HPGDMEN1KMT2APKM
SCHEMBL6409643 0.85 TP53 (0.65) ALDH1A1HPGDMEN1KMT2AALPG
SCHEMBL6403434 0.85 ALDH1A1 (0.63) ALDH1A1HPGDMEN1KMT2AALPG
SCHEMBL6403527 0.85 TSHR (0.66) ALDH1A1HPGDPKMLMNAL3MBTL1
SCHEMBL3300655 0.84 ALPG (0.53) ALDH1A1HPGDMEN1KMT2AALPG

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 720/4885HPGD 835/4885MEN1 3562/4885

“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.