SCHEMBL13428532

SCHEMBL13428532

CC(C)OCCNc1ncc(/C=C/C(=O)NOC2CCCCO2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
TGFBR1 P36897 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GCK P35557 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SCN9A Q15858 1/20 0.32
GAA P10253 2/20 0.31
PKM P14618 1/20 0.31
HDAC3 O15379 1/20 0.31
CDK9 P50750 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LMNA P02545 1/20 0.31
PYGL P06737 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30

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
SCHEMBL13428523 0.96 MCHR1 (0.37) MCHR1CCNA2CDK2CCNA1CDK5
SCHEMBL8178636 0.91 TGFBR1 (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL8173594 0.90 TGFBR1 (0.34) MCHR1TGFBR1ALDH1A1GAACSNK2A2
SCHEMBL13428535 0.88 ALDH1A1 (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL13428566 0.87 CCNA2 (0.35) MCHR1CCNA2CDK2CCNA1CDK5
SCHEMBL3227276 0.87 SMN1; SMN2 (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL3227255 0.87 SMN1; SMN2 (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL13428522 0.86 CCNA2 (0.36) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL13428514 0.85 KMT2A (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL8178639 0.84 SMN1; SMN2 (0.40) 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 MCHR1 1815/4885CCNA2 307/4885CDK2 330/4885

“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.