SCHEMBL3533509

SCHEMBL3533509

CSc1nccc(-c2cc(-c3nc4ccc(C(=O)O)cc4[nH]3)c(=O)[nH]n2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FHIT P49789 1/20 0.45
TDP1 Q9NUW8 7/20 0.44
MAPT P10636 6/20 0.44
POLB P06746 5/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NR4A2 P43354 1/20 0.43
HSP90AA1 P07900 1/20 0.42
ESR2 Q92731 1/20 0.42
CHEK2 O96017 4/20 0.42
LMNA P02545 1/20 0.41
PFKFB3 Q16875 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL2951739 0.86 HPGD (0.46) TDP1MAPTNPC1MEN1KMT2A
SCHEMBL5252789 0.86 CBFB (0.38) TDP1MAPTPOLBNPC1RAB9A
SCHEMBL3536815 0.84 GSK3B (0.55) MAPTNPC1RAB9ALMNAGSK3B
SCHEMBL2941275 0.79 PKN1 (0.54) FHITTDP1MAPTPOLBNPC1
SCHEMBL3542227 0.76 GSK3B (0.62) TDP1MAPTPOLBNPC1RAB9A
SCHEMBL2951702 0.72 PDE4A (0.52) TDP1MAPTPOLBNPC1RAB9A
SCHEMBL2950072 0.70 GSK3B (0.46) FHITTDP1MAPTPOLBNPC1
SCHEMBL13237016 0.69 ATM (0.56) MAPTNPC1RAB9AL3MBTL1CHEK2
SCHEMBL13237044 0.69 HPGD (0.45) TDP1MAPTNPC1MEN1KMT2A
SCHEMBL3537709 0.69 GSK3B (0.48) MAPTPOLBNPC1RAB9AMEN1

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-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US claimed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US disclosed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US disclosed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US disclosed
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 US disclosed
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 US disclosed
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 US disclosed
EP-1725543-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-29 EP disclosed
WO-2005085230-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 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-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS GSK3B, GSK3A, PYGB FHIT 4704/4885TDP1 1668/4885MAPT 26/4885

“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.