SCHEMBL4597936

SCHEMBL4597936

CN(C)C(=O)C(N)Cc1ccc(Cc2ccc(C(=O)NO)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.58
HDAC1 Q13547 9/20 0.58
HDAC8 Q9BY41 6/20 0.48
HDAC3 O15379 3/20 0.47
NCOR2 Q9Y618 1/20 0.47
HDAC2 Q92769 1/20 0.44
KMT2A Q03164 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
SCHEMBL4598315 0.92 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC3NCOR2
SCHEMBL14003044 0.88 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC3NCOR2
Hydrochloric Acid SCHEMBL4598799 0.87 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC3NCOR2
SCHEMBL27322134 0.81 SLC7A5 (0.56) HDAC8
SCHEMBL14003068 0.78 OPRM1 (0.48) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL5125574 0.77 HDAC8 (0.49) HDAC6HDAC1HDAC8
SCHEMBL4598564 0.77 HDAC8 (0.55) HDAC6HDAC1HDAC8
Hydrochloric Acid SCHEMBL4596795 0.77 OPRM1 (0.47) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL4758324 0.77 OPRM1 (0.45) HDAC6HDAC1HDAC8HDAC3
SCHEMBL10435928 0.76 SLC7A5 (0.62) HDAC8

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-20080200521-A1 Novel hydroxamic acid containing amino acid derivatives BEXEL PHARMACEUTICALS. INC. 2008-08-21 US claimed
EP-1906731-A2 NOVEL HYDROXAMIC ACID-CONTAINING AMINO ACID DERIVATIVES Bexel Pharmaceuticals Inc (US) 2008-04-09 EP claimed
WO-2007005603-A2 NOVEL HYDROXAMIC ACID-CONTAINING AMINO ACID DERIVATIVES BEXEL PHARMACEUTICALS, INC. (US) 2007-01-11 WO claimed
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives BEXEL PHARMACEUTICALS, INC. 2007-01-04 US claimed

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-20080200521-A1 Novel hydroxamic acid containing amino acid derivatives HGFAC, HCAR2, BCAT1 HDAC6 639/4885HDAC1 161/4885HDAC8 154/4885
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives HGFAC, HCAR2, BCAT1 HDAC6 684/4885HDAC1 163/4885HDAC8 176/4885

“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.