SCHEMBL6403936

SCHEMBL6403936

CCOC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
ALDH1A1 P00352 8/20 0.61
HPGD P15428 4/20 0.61
HSD17B10 Q99714 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
USP2 O75604 1/20 0.61
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
PKM P14618 1/20 0.53
ALPG P10696 1/20 0.53
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.52

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
SCHEMBL6406347 0.89 TSHR (0.68) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL6408488 0.86 ALDH1A1 (0.70) TSHRALDH1A1HPGDHSD17B10MEN1
SCHEMBL14478938 0.85 ALDH1A1 (0.66) TSHRALDH1A1HPGDHSD17B10MEN1
SCHEMBL5333083 0.85 MAPT (0.68) TSHRALDH1A1HPGDHSD17B10MEN1
SCHEMBL5332243 0.84 ALDH1A1 (0.67) TSHRALDH1A1HPGDHSD17B10MEN1
SCHEMBL29598047 0.83 ALPG (0.73) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL5331484 0.83 ALDH1A1 (0.66) TSHRALDH1A1HPGDHSD17B10MEN1
SCHEMBL27175659 0.82 ALDH1A1 (0.62) TSHRALDH1A1HPGDHSD17B10MEN1
SCHEMBL5332021 0.81 SMN1; SMN2 (0.74) TSHRALDH1A1HPGDHSD17B10MEN1
SCHEMBL20515272 0.80 TSHR (0.61) TSHRALDH1A1HPGDHSD17B10MEN1

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 3470/4885ALDH1A1 720/4885HPGD 835/4885

“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.