SCHEMBL13428552

SCHEMBL13428552

O=C(/C=C/c1cnc(NCCNC(=O)C2CCCCC2)c(Cl)c1)NOC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
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
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
USP2 O75604 2/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 2/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL13428535 0.88 ALDH1A1 (0.37) ALDH1A1CCNA2CDK2CCNA1CDK5
SCHEMBL3223938 0.86 NPC1 (0.39) ALDH1A1CCNA2CDK2CCNA1CDK5
SCHEMBL3223927 0.86 NPC1 (0.39) ALDH1A1CCNA2CDK2CCNA1CDK5
SCHEMBL8178636 0.85 TGFBR1 (0.37) ALDH1A1CCNA2CDK2CCNA1CDK5
SCHEMBL13428566 0.85 CCNA2 (0.35) ALDH1A1CCNA2CDK2CCNA1CDK5
SCHEMBL13428532 0.84 MCHR1 (0.35) ALDH1A1CCNA2CDK2CCNA1CDK5
SCHEMBL13428522 0.83 CCNA2 (0.36) ALDH1A1CCNA2CDK2CCNA1CDK5
SCHEMBL13429134 0.83 HDAC1 (0.42) ALDH1A1CDK2L3MBTL1KDM4ELMNA
SCHEMBL3227255 0.83 SMN1; SMN2 (0.40) ALDH1A1CCNA2CDK2CCNA1CDK5
SCHEMBL3227276 0.83 SMN1; SMN2 (0.40) ALDH1A1CCNA2CDK2CCNA1CDK5

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 1516/4885CCNA2 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.