SCHEMBL13304579

SCHEMBL13304579

COc1cc(-n2ccn(CC3CN(c4ncc(C(=O)NO)cn4)CCO3)c2=O)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.42
HDAC1 Q13547 16/20 0.42
HDAC3 O15379 8/20 0.42
HDAC2 Q92769 8/20 0.42
HDAC4 P56524 5/20 0.42
HDAC7 Q8WUI4 5/20 0.42
HDAC10 Q969S8 5/20 0.42
HDAC11 Q96DB2 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC9 Q9UKV0 5/20 0.42
HDAC5 Q9UQL6 5/20 0.42
CYP19A1 P11511 1/20 0.40
EHMT2 Q96KQ7 1/20 0.39
NCOR2 Q9Y618 3/20 0.37
DNMT1 P26358 2/20 0.37
DNMT3B Q9UBC3 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37

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
SCHEMBL13304576 0.91 HDAC6 (0.43) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL13304580 0.90 HDAC6 (0.45) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL13304581 0.87 HDAC1 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL13304582 0.87 HDAC6 (0.45) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL13304589 0.84 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL13304585 0.84 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL13304567 0.84 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL13304577 0.83 HDAC6 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL13304584 0.83 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL13304583 0.82 HDAC6 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC4

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 HDAC6 11/4885HDAC1 1/4885HDAC3 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.