SCHEMBL4859020

SCHEMBL4859020

CCOC(=O)C(CC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
LMNA P02545 1/20 0.62
MAOB P27338 1/20 0.57
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
EGFR P00533 4/20 0.55
NPC1 O15118 2/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PARP10 Q53GL7 1/20 0.54
NR1H4 Q96RI1 1/20 0.53
SRD5A2 P31213 1/20 0.52

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
SCHEMBL3822474 0.94 L3MBTL1 (0.58) L3MBTL1LMNAMAOBRAB9ASMN1; SMN2
SCHEMBL27623033 0.86 RAB9A (0.60) L3MBTL1LMNAMAOBRAB9ASMN1; SMN2
SCHEMBL6014923 0.83 KMT2A (0.75) L3MBTL1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL9493387 0.82 L3MBTL1 (0.67) L3MBTL1LMNAMAOBALDH1A1NR1H4
SCHEMBL27385612 0.81 LMNA (0.65) L3MBTL1LMNAMAOBALDH1A1NR1H4
SCHEMBL377079 0.81 MAOB (0.60) L3MBTL1LMNAMAOBRAB9ASMN1; SMN2
SCHEMBL340618 0.80 MAOB (0.67) L3MBTL1LMNAMAOBRAB9ASMN1; SMN2
SCHEMBL4709350 0.80 HDAC3 (0.59) L3MBTL1LMNAMAOBRAB9ASMN1; SMN2
SCHEMBL102983 0.80 RAB9A (0.83) L3MBTL1LMNAMAOBRAB9ASMN1; SMN2
SCHEMBL4855268 0.79 LMNA (0.62) L3MBTL1LMNAMAOBALDH1A1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
CN-1741999-A Pyridazinone derivatives as GSK-3 beta inhibitors AVENTIS PHARMA GMBH (DE) 2006-03-01 CN disclosed
EP-1611121-A1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS Aventis Pharma S.A. (FR) 2006-01-04 EP disclosed
EP-1581505-A1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2005-10-05 EP disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 US disclosed
US-20040176377-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-09-09 US disclosed
WO-2004046117-A1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-03 WO disclosed
WO-2004046130-A1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-06-03 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 (2 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-20040176377-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them ADRA2C, ADRA1A, ADRA1B L3MBTL1 4741/4885LMNA 893/4885MAOB 394/4885
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A L3MBTL1 4703/4885LMNA 680/4885MAOB 169/4885

“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.