SCHEMBL13428522

SCHEMBL13428522

CN(C)CCCNc1ncc(/C=C/C(=O)NOC2CCCCO2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TGFBR1 P36897 1/20 0.34
FOXO1 Q12778 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
BCHE P06276 3/20 0.31
SIGMAR1 Q99720 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL13428566 0.95 CCNA2 (0.35) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL8189381 0.90 ALDH1A1 (0.35) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL8178636 0.87 TGFBR1 (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL13428523 0.87 MCHR1 (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL13428532 0.86 MCHR1 (0.35) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL8178639 0.85 SMN1; SMN2 (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL13428535 0.84 ALDH1A1 (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL13428544 0.84 ALDH1A1 (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL13428552 0.83 ALDH1A1 (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL13428505 0.83 ALDH1A1 (0.34) CCNA2CDK2CCNA1CDK5CDK5R1

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 CCNA2 307/4885CDK2 330/4885CCNA1 408/4885

“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.