SCHEMBL4822553

SCHEMBL4822553

NC(=O)CC[CH]CC(=O)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC5 Q9UQL6 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
FOLH1 Q04609 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
CYP3A4 P08684 2/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CA5A P35218 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL5133636 0.80 SOAT1 (0.37) KDM4ECYP3A4LMNABLMPMP22
SCHEMBL7974672 0.80 LMNA (0.37) KDM4ECYP3A4LMNAMEN1FAAH
SCHEMBL137189 0.72
SCHEMBL27643837 0.72 FOLH1 (0.57) HDAC3HDAC1HDAC2HDAC8HDAC6
Ammonia Solution, Strong SCHEMBL2217876 0.70 FOLH1 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL976350 0.70 HDAC1 (0.65) HDAC3HDAC1HDAC2HDAC8HDAC6
Fluoride SCHEMBL27659982 0.70 FOLH1 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1043398 0.70
SCHEMBL2808617 0.70 HDAC1 (0.74) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL27971202 0.70 FOLH1 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6

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-7323596-B2 Antibacterial or antiprotozoal activity: formula (1) formula (2) wherein: Z represents a radical of formula N(OH)CH( .dbd. O) or of formula C( .dbd. O)NH(OH); R1 represents hydrogen, methyl or trifluoromethyl, or, except when Z is a radical of DE NOVO PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
US-20040102491-A1 Antimicrobial agents DE NOVO PHARMACEUTICALS LTD. (GB) 2004-05-27 US disclosed
EP-1343753-A2 ANTIMICROBIAL AGENTS De Novo Pharmaceuticals Ltd. (GB) 2003-09-17 EP disclosed
WO-2002050081-A2 ANTIMICROBIAL AGENTS DE NOVO PHARMACEUTICALS LTD (GB) 2002-06-27 WO 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-20040102491-A1 Antimicrobial agents CBR1, CYC1, MRM1 HDAC3 863/4885HDAC1 761/4885HDAC2 2091/4885

“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.