SCHEMBL4232071

SCHEMBL4232071

O=C(/C=C/c1cnc(Nc2ccccc2NC(=O)C2CCCCC2)c(Cl)c1)NOC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ MAPK3 P27361 8/20 0.38
▸ GRM4 Q14833 1/20 0.37
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ROS1 P08922 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CETP P11597 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL4232075 1.00 CCNA2 (0.39) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4222111 0.88 EGFR (0.42) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4222107 0.88 EGFR (0.42) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4222119 0.84 CCNA2 (0.39) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4222109 0.84 CCNA2 (0.39) CCNA2CDK2CCNA1CDK5CDK5R1
Hydrochloric Acid SCHEMBL4225752 0.83 MAPK3 (0.45) MAPK3GRM4HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL4225759 0.83 MAPK3 (0.45) MAPK3GRM4HDAC3HDAC1HDAC2
SCHEMBL4227229 0.83 ACHE (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4227214 0.83 ACHE (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4233716 0.83 SIRT2 (0.45) HDAC3HDAC1HDAC2SMN1; SMN2CETP

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.

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