SCHEMBL13304547

SCHEMBL13304547

CCOC(=O)c1cnc(N2CCOC(CC)C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.48
CHEK2 O96017 1/20 0.48
HDAC6 Q9UBN7 2/20 0.45
PIK3CA P42336 1/20 0.45
ACACB O00763 1/20 0.45
OGA O60502 1/20 0.45
AOC3 Q16853 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
POLB P06746 2/20 0.40
ALOX15 P16050 2/20 0.40

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
SCHEMBL753771 0.91 CHEK1 (0.58) CHEK1CHEK2HDAC6PIK3CAACACB
SCHEMBL763191 0.83 CHEK1 (0.43) CHEK1CHEK2HDAC6PIK3CAACACB
SCHEMBL13304515 0.83 CHEK1 (0.43) CHEK1CHEK2HDAC6PIK3CAACACB
SCHEMBL4580075 0.81 POLB (0.61) PIK3CAOGAL3MBTL1POLBALOX15
SCHEMBL13538787 0.80 HDAC6 (0.47) HDAC6AOC3HDAC3HDAC4HDAC1
SCHEMBL13304518 0.78 HDAC6 (0.39) CHEK1CHEK2HDAC6PIK3CAACACB
SCHEMBL13538789 0.78 P2RY12 (0.46) HDAC6ACACBHDAC3HDAC4HDAC1
SCHEMBL13538778 0.78 HDAC3 (0.44) CHEK1CHEK2HDAC6AOC3HDAC3
SCHEMBL13538751 0.78 HDAC3 (0.44) CHEK1CHEK2HDAC6AOC3HDAC3
SCHEMBL12193392 0.77 ACACB (0.47) PIK3CAACACBOGAAOC3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 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-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC3 CHEK1 845/4885CHEK2 477/4885HDAC6 11/4885

“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.