SCHEMBL13428982

SCHEMBL13428982

CCOC(=O)/C=C/c1cnc(NCCNC(=O)C2CCCCC2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 3/20 0.44
HSD17B10 Q99714 3/20 0.44
USP2 O75604 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CHRM1 P11229 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL13428830 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL13429134 0.84 HDAC1 (0.42) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL13428983 0.81 ALDH1A1 (0.47) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL13428547 0.80 STK17B (0.47) ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL13428988 0.80 L3MBTL1 (0.46) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL13428981 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL13428552 0.78 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL8171884 0.73 HDAC1 (0.42) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL4227481 0.71 NOS2 (0.47) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL4227488 0.71 NOS2 (0.47) ALDH1A1KDM4EHPGDTSHRHSD17B10

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 2 patents. 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
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 1516/4885KDM4E 253/4885HPGD 302/4885

“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.