SCHEMBL7008066

SCHEMBL7008066

O=C(NCCCCCCO)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.68
HDAC4 P56524 1/20 0.68
HDAC1 Q13547 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC2 Q92769 1/20 0.68
HDAC10 Q969S8 1/20 0.68
HDAC11 Q96DB2 1/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
HDAC9 Q9UKV0 1/20 0.68
HDAC5 Q9UQL6 1/20 0.68
POLB P06746 1/20 0.64
CYP1A2 P05177 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
MAOB P27338 1/20 0.62
MEN1 O00255 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL9491749 0.93 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29833827 0.91 POLB (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7010165 0.86 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9585652 0.85 CYP1A2 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10099595 0.85 L3MBTL1 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9733668 0.85 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7104101 0.85 CYP1A2 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10994444 0.85 L3MBTL1 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5694370 0.85 L3MBTL1 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10595825 0.85 L3MBTL1 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US disclosed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP disclosed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 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-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them PLA2G7, PLA2G1B, PLA2G4C HDAC3 3319/4885HDAC4 3357/4885HDAC1 3256/4885

“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.