SCHEMBL4855871

SCHEMBL4855871

O=C(NCc1ccc(Cl)cc1Cl)c1cc(-c2ccc(O)cc2)n[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.57
CASP1 P29466 1/20 0.54
EPHX2 P34913 2/20 0.47
TSHR P16473 1/20 0.46
P2RX7 Q99572 1/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
NLRP1 Q9C000 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL4848916 0.90 CASP1 (0.55) GSK3BCASP1EPHX2TSHRP2RX7
SCHEMBL4856266 0.89 CASP1 (0.69) GSK3BCASP1EPHX2TSHRP2RX7
SCHEMBL4854012 0.86 GSK3B (0.76) GSK3BLMNAMEN1KMT2AHDAC3
SCHEMBL4848211 0.85 GSK3B (0.49) GSK3BCASP1TSHRLMNAMEN1
SCHEMBL4852979 0.85 CASP1 (0.57) GSK3BCASP1EPHX2TSHRP2RX7
SCHEMBL4849613 0.83 GSK3B (0.58) GSK3BCASP1EPHX2TSHRP2RX7
SCHEMBL4856060 0.81 TSHR (0.60) GSK3BCASP1EPHX2TSHRLMNA
SCHEMBL4851138 0.80 GSK3B (0.58) GSK3BCASP1P2RX7MEN1KMT2A
SCHEMBL4847269 0.79 GSK3B (0.81) GSK3BCASP1TSHRMAPK1KMT2A
SCHEMBL5231880 0.79 GSK3B (0.81) GSK3BCASP1P2RX7MAPK1TP53

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 14 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-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
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
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 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
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 GSK3B 3654/4885CASP1 2557/4885EPHX2 2144/4885
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A GSK3B 3708/4885CASP1 3371/4885EPHX2 1538/4885

“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.