SCHEMBL13304528

SCHEMBL13304528

CCOC(=O)c1cnc(N2CCC(CNC(C(=O)OCC)c3ccccc3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
ACACB O00763 1/20 0.44
OGA O60502 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RY12 Q9H244 6/20 0.43
NCOR2 Q9Y618 2/20 0.41
PIK3CD O00329 1/20 0.41

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
SCHEMBL13061200 0.83 HDAC6 (0.61) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL755955 0.81 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL13304553 0.81 OGA (0.46) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL10194552 0.80 ACACB (0.45) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL753775 0.80 HDAC3 (0.76) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL13320997 0.78 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2622715 0.77 HDAC3 (0.54) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL13304498 0.77 ACACB (0.43) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL5508173 0.77 BRD4 (0.49) P2RY12PTPN11POLBMAPT
SCHEMBL2622717 0.77 OGA (0.47) HDAC1HDAC6ACACBOGAKMT2A

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-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
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 HDAC1 1/4885HDAC6 11/4885HDAC3 3/4885

“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.