SCHEMBL4598564

SCHEMBL4598564

CN(C)C(=O)C(N)Cc1ccc(Oc2cccc(C(=O)NO)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.55
SMPD1 P17405 10/20 0.49
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
LOXL2 Q9Y4K0 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
SCHEMBL5125574 0.89 HDAC8 (0.49) HDAC8HDAC1HDAC6
SCHEMBL14003044 0.88 HDAC6 (0.47) HDAC8HDAC1HDAC6ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4598799 0.87 HDAC6 (0.46) HDAC8HDAC1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL4597882 0.86 HDAC8 (0.64) HDAC8SMPD1HDAC1HDAC6ALDH1A1
SCHEMBL5129744 0.82 MMP9 (0.38) PPARGPPARDPPARA
SCHEMBL4758324 0.82 OPRM1 (0.45) HDAC8HDAC1HDAC6
SCHEMBL5125952 0.81 SLC1A3 (0.39) HDAC1HDAC6PPARGPPARDPPARA
SCHEMBL4596689 0.81 TP53 (0.42) HDAC8HDAC1ALDH1A1PPARGPPARD
SCHEMBL4596780 0.79 HDAC8 (0.51) HDAC8SMPD1HDAC1HDAC6
SCHEMBL4598180 0.79 BRAF (0.38) HDAC1LMNAPPARGPPARDPPARA

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 HDAC8 154/4885SMPD1 2769/4885HDAC1 161/4885
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives HGFAC, HCAR2, BCAT1 HDAC8 176/4885SMPD1 2995/4885HDAC1 163/4885

“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.