SCHEMBL6029149

SCHEMBL6029149

Cc1cc(Sc2ccccc2)c(C(=O)O)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.40
SIRT1 Q96EB6 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RHEB Q15382 1/20 0.38
PARP1 P09874 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 1/20 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
SCHEMBL680578 0.73 PDE4A (0.49) TDP1LMNAMAPTHTTKDM4E
SCHEMBL3528049 0.71 ALDH1A1 (0.61) TDP1POLBLMNAMAPTHTT
SCHEMBL9589002 0.70 HPGD (0.46) POLBLMNAMAPTKDM4EGAA
SCHEMBL3944204 0.70 KDM4E (0.62) TDP1LMNAMAPTHTTKDM4E
SCHEMBL9295580 0.69 SIRT1 (0.47) TDP1POLBMAPTSIRT1ALDH1A1
SCHEMBL9374149 0.69 GAA (0.44) TDP1POLBLMNAMAPTKDM4E
SCHEMBL4313188 0.66 PIN1 (0.46) LMNAMAPTHTTSMN1; SMN2L3MBTL1
SCHEMBL10495894 0.66 TDP1 (0.42) TDP1POLBLMNAMAPTSIRT1
SCHEMBL9686145 0.65 CA12 (0.59) TDP1POLBLMNAMAPTKDM4E
SCHEMBL9622183 0.65 ALDH1A1 (0.51) TDP1POLBMAPTSIRT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229847-A1 Pyridinone and pyridinethione derivatives having hiv inhibiting properties CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-11-18 US claimed
EP-1318995-A2 PYRIDINONE AND PYRIDINETHIONE DERIVATIVES HAVING HIV INHIBITING PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2003-06-18 EP claimed
WO-2002024650-A2 PYRIDINONE AND PYRIDINETHIONE DERIVATIVES HAVING HIV INHIBITING PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2002-03-28 WO claimed
US-7115608-B2 Pyridinone and pyridinethione derivatives having HIV inhibiting properties CENTRE NATIONAL DE LA RECHERCHE SCHENTIFIQUE (FR) 2006-10-03 US 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 TDP1 2476/4885POLB 1515/4885LMNA 2432/4885

“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.