SCHEMBL4221748

SCHEMBL4221748

O=C(C=Cc1cnc(NC2CCCC2)c(Cl)c1)NOC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
TGFBR1 P36897 1/20 0.36
P2RX3 P56373 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HDAC3 O15379 1/20 0.34
CDK9 P50750 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
JAK2 O60674 2/20 0.33
MAOB P27338 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GCK P35557 1/20 0.32

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
SCHEMBL4221736 1.00 CCNA2 (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4224052 0.92 CCNA2 (0.34) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4224057 0.92 CCNA2 (0.34) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4219377 0.90 CCR2 (0.39) TGFBR1MEN1KMT2A
SCHEMBL4219386 0.90 CCR2 (0.39) TGFBR1MEN1KMT2A
SCHEMBL4219159 0.89 SLC2A1 (0.37)
SCHEMBL4219169 0.89 SLC2A1 (0.37)
SCHEMBL4222500 0.88 TGFBR1 (0.34) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4222491 0.88 TGFBR1 (0.34) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4231670 0.88 HTR2A (0.45) HDAC6MAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 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 (2 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 CCNA2 1568/4885CDK2 353/4885CCNA1 1054/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 CCNA2 1204/4885CDK2 225/4885CCNA1 827/4885

“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.