SCHEMBL6024243

SCHEMBL6024243

CCOC(=O)/C(CCCc1ccccc1)=C(\C)N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.50
LMNA P02545 1/20 0.49
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 4/20 0.46
KMT2A Q03164 1/20 0.45
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL6024246 1.00 ALOX5 (0.50) ALOX5LMNAHDAC3HDAC4HDAC1
SCHEMBL9003247 0.82 MEN1 (0.46) SMN1; SMN2MAPK1KMT2AL3MBTL1ALDH1A1
SCHEMBL9003251 0.82 MEN1 (0.46) SMN1; SMN2MAPK1KMT2AL3MBTL1ALDH1A1
SCHEMBL1858472 0.80 ALOX5 (0.56) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL304579 0.80 L3MBTL1 (0.55) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL304577 0.80 L3MBTL1 (0.55) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL11133561 0.78 ALOX5 (0.53) ALOX5LMNAHDAC3HDAC4HDAC1
SCHEMBL13237271 0.77 ALOX5 (0.50) ALOX5LMNAHDAC3HDAC4HDAC1
SCHEMBL260297 0.77 ALOX5 (0.76) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL10475121 0.76 ALOX15 (0.41) LMNAALDH1A1

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
US-7115608-B2 Pyridinone and pyridinethione derivatives having HIV inhibiting properties CENTRE NATIONAL DE LA RECHERCHE SCHENTIFIQUE (FR) 2006-10-03 US disclosed
EP-1318995-B1 PYRIDINONE AND PYRIDINETHIONE DERIVATIVES HAVING HIV INHIBITING PROPERTIES CENTRE NAT RECH SCIENT (FR) 2006-03-08 EP disclosed
US-20040229847-A1 Pyridinone and pyridinethione derivatives having hiv inhibiting properties CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-11-18 US disclosed
EP-1318995-A2 PYRIDINONE AND PYRIDINETHIONE DERIVATIVES HAVING HIV INHIBITING PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2003-06-18 EP disclosed
WO-2002024650-A2 PYRIDINONE AND PYRIDINETHIONE DERIVATIVES HAVING HIV INHIBITING PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2002-03-28 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-20040229847-A1 Pyridinone and pyridinethione derivatives having hiv inhibiting properties CYP2B6, CYP2S1, CYP2D6 ALOX5 10/4885LMNA 2432/4885HDAC3 2724/4885

“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.