SCHEMBL4825529

SCHEMBL4825529

NC(=O)CCC[CH]CN(O)C=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
SOAT1 P35610 2/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL10354272 0.75 CNR1 (0.46) CNR1SOAT1MEN1FAAHTP53
SCHEMBL6941914 0.74 HDAC2 (0.41) CNR1SOAT1MEN1FAAHTP53
SCHEMBL7094787 0.72
SCHEMBL4825533 0.71 HDAC2 (0.50) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL15774854 0.69 CNR1 (0.42) CNR1SOAT1MEN1FAAHTP53
SCHEMBL6644124 0.69
SCHEMBL435772 0.68
SCHEMBL6068913 0.67
SCHEMBL6467649 0.66 FAAH (0.58) CNR1SOAT1MEN1FAAHTP53
SCHEMBL6069030 0.66 CNR1 (0.53) CNR1SOAT1MEN1FAAHTP53

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 CNR1 422/4885SOAT1 585/4885MEN1 2961/4885

“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.