SCHEMBL4758324

SCHEMBL4758324

CN(C)C(=O)C(N)Cc1ccc(Oc2ccc(C(=O)NO)cc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.45
OPRK1 P41145 4/20 0.45
HDAC6 Q9UBN7 5/20 0.40
HDAC1 Q13547 3/20 0.40
CARM1 Q86X55 3/20 0.39
PRMT6 Q96LA8 3/20 0.39
HDAC3 O15379 2/20 0.39
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRD1 P41143 2/20 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
SCHEMBL14003044 0.85 HDAC6 (0.47) OPRM1OPRK1HDAC6HDAC1HDAC3
Hydrochloric Acid SCHEMBL4598799 0.84 HDAC6 (0.46) OPRM1OPRK1HDAC6HDAC1HDAC3
SCHEMBL4598564 0.82 HDAC8 (0.55) HDAC6HDAC1HDAC8
SCHEMBL5125952 0.81 SLC1A3 (0.39) HDAC6HDAC1CARM1PRMT6
SCHEMBL21628403 0.80 OPRM1 (0.52) OPRM1OPRK1HDAC6HDAC1HDAC3
SCHEMBL14003068 0.78 OPRM1 (0.48) OPRM1OPRK1HDAC6HDAC1HDAC3
SCHEMBL21628787 0.78 OPRM1 (0.51) OPRM1OPRK1HDAC6HDAC1PTGER4
SCHEMBL5129744 0.78 MMP9 (0.38) CARM1PRMT6
SCHEMBL5125574 0.78 HDAC8 (0.49) HDAC6HDAC1HDAC8
Hydrochloric Acid SCHEMBL4596795 0.77 OPRM1 (0.47) OPRM1OPRK1HDAC6HDAC1HDAC3

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 OPRM1 4437/4885OPRK1 3467/4885HDAC6 639/4885
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives HGFAC, HCAR2, BCAT1 OPRM1 4411/4885OPRK1 3401/4885HDAC6 684/4885

“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.