SCHEMBL6405090

SCHEMBL6405090

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

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
L3MBTL1 Q9Y468 2/20 0.69
POLB P06746 2/20 0.69
MAPT P10636 2/20 0.69
CDC25A P30304 1/20 0.65
CDC25B P30305 1/20 0.65
TP53 P04637 1/20 0.62
KMT2A Q03164 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 1/20 0.62
TSHR P16473 1/20 0.61
HDAC3 O15379 1/20 0.60
PTK2 Q05397 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60

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
SCHEMBL11887846 0.85 ALDH1A1 (0.55) ALDH1A1L3MBTL1POLBMAPTCDC25A
SCHEMBL30901621 0.84 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPTTP53KMT2A
SCHEMBL22019621 0.84 ALDH1A1 (0.73) ALDH1A1L3MBTL1TP53SMN1; SMN2TSHR
SCHEMBL6404890 0.82 ALDH1A1 (1.00) ALDH1A1L3MBTL1POLBMAPTCDC25A
SCHEMBL17725688 0.81 MEN1 (0.63) ALDH1A1L3MBTL1MAPTTP53KMT2A
SCHEMBL6404317 0.81 ALDH1A1 (0.64) ALDH1A1POLBMAPTCDC25ACDC25B
SCHEMBL2496934 0.79 NPC1 (0.73) ALDH1A1L3MBTL1POLBMAPTCDC25A
SCHEMBL21123650 0.79 TP53 (0.78) ALDH1A1L3MBTL1POLBMAPTTP53
SCHEMBL4147233 0.79 CDC25A (1.00) ALDH1A1L3MBTL1POLBMAPTCDC25A
SCHEMBL19995460 0.77 KMT2A (0.70) ALDH1A1L3MBTL1POLBMAPTCDC25A

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 720/4885L3MBTL1 2749/4885POLB 854/4885

“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.