SCHEMBL3223809

SCHEMBL3223809

CC(C)(C)OC(=O)NCCNc1ncc(/C=C/C(=O)O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
STK17B O94768 1/20 0.50
STK17A Q9UEE5 1/20 0.50
LATS1 O95835 1/20 0.40
BCHE P06276 1/20 0.38
BRD4 O60885 3/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PYGL P06737 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL3223820 1.00 ALDH1A1 (0.51) ALDH1A1STK17BSTK17ALATS1BCHE
SCHEMBL13428547 0.88 STK17B (0.47) ALDH1A1STK17BSTK17ALATS1BCHE
SCHEMBL13428487 0.86 STK17B (0.54) ALDH1A1STK17BSTK17ALATS1BCHE
SCHEMBL3826302 0.82 STK17B (0.54) ALDH1A1STK17BSTK17ALATS1BCHE
SCHEMBL13428825 0.81 ALDH1A1 (0.51) ALDH1A1BRD4MEN1KMT2AL3MBTL1
SCHEMBL13428494 0.80 STK17B (0.54) ALDH1A1STK17BSTK17ALATS1BCHE
SCHEMBL13428589 0.79 ALDH1A1 (0.46) ALDH1A1KMT2AL3MBTL1KDM4EPIM2
SCHEMBL13428585 0.77 ALDH1A1 (0.44) ALDH1A1GAAKMT2AL3MBTL1KDM4E
SCHEMBL13428556 0.77 ALDH1A1 (0.46) ALDH1A1PIM2
SCHEMBL3227039 0.77 ALDH1A1 (0.49) ALDH1A1MEN1GAAKMT2AL3MBTL1

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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 ALDH1A1 1516/4885STK17B 2348/4885STK17A 1986/4885

“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.