SCHEMBL4853516

SCHEMBL4853516

CCOC(=O)N1CCC(NC(=O)c2cc(-c3ccncc3)n[nH]c2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
HSD17B10 Q99714 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 5/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GSK3B P49841 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45

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
SCHEMBL4852930 0.88 USP30 (0.58) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL13986942 0.85 GSK3B (0.48) ALDH1A1HSD17B10KMT2AKDM4EMAPK1
SCHEMBL5232508 0.84 MAPK8 (0.55) GSK3B
SCHEMBL5236116 0.81 GSK3B (0.52) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL5233639 0.81 GSK3B (0.52) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL13986968 0.81 MAPK8 (0.50) GSK3BNPC1
SCHEMBL4848283 0.81 GSK3B (0.51) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL13986936 0.80 MAPK8 (0.51) ALDH1A1MEN1KMT2AKDM4EGSK3B
SCHEMBL13986935 0.79 SIGMAR1 (0.56)
SCHEMBL4855836 0.76 GSK3B (0.54) ALDH1A1MEN1KMT2AGSK3BMAPT

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 9 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
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 US 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-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A ALDH1A1 370/4885HSD17B10 285/4885MEN1 997/4885

“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.