SCHEMBL6404890

SCHEMBL6404890

Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 1.00
MAPT P10636 2/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
CDC25A P30304 1/20 0.89
CDC25B P30305 1/20 0.89
POLB P06746 2/20 0.82
HPGD P15428 2/20 0.78
RAB9A P51151 6/20 0.77
NPC1 O15118 3/20 0.70
PAX8 Q06710 1/20 0.70
TDP1 Q9NUW8 2/20 0.69
USP2 O75604 1/20 0.69
KDM4E B2RXH2 2/20 0.68
ALPL P05186 1/20 0.66
GAA P10253 1/20 0.66
ALPG P10696 1/20 0.66
PLAA Q9Y263 1/20 0.66
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62

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
SCHEMBL4147233 0.94 CDC25A (1.00) ALDH1A1MAPTL3MBTL1CDC25ACDC25B
SCHEMBL4205396 0.92 ALDH1A1 (0.85) ALDH1A1MAPTL3MBTL1CDC25ACDC25B
SCHEMBL23527313 0.89 ALDH1A1 (0.84) ALDH1A1MAPTL3MBTL1CDC25ACDC25B
SCHEMBL4203731 0.88 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1CDC25ACDC25B
SCHEMBL18556537 0.87 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1CDC25ACDC25B
SCHEMBL4209017 0.86 POLB (0.80) ALDH1A1MAPTL3MBTL1CDC25ACDC25B
SCHEMBL4200790 0.85 ALDH1A1 (0.83) ALDH1A1MAPTL3MBTL1CDC25ACDC25B
SCHEMBL4203026 0.84 ALDH1A1 (0.77) ALDH1A1MAPTL3MBTL1CDC25ACDC25B
SCHEMBL23527195 0.84 ALDH1A1 (0.77) ALDH1A1MAPTL3MBTL1CDC25ACDC25B
SCHEMBL4206769 0.84 CDC25A (0.75) ALDH1A1MAPTL3MBTL1CDC25ACDC25B

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 720/4885MAPT 2111/4885L3MBTL1 2749/4885

“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.