SCHEMBL3537709

SCHEMBL3537709

CCN(CC)CCSc1nccc(-c2cc(-c3nc4ccccc4[nH]3)c(=O)[nH]n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.48
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 7/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.42
KDR P35968 2/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
NPSR1 Q6W5P4 3/20 0.39
RAB9A P51151 3/20 0.39
USP2 O75604 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.39
BRCA1 P38398 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 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
SCHEMBL3536815 0.83 GSK3B (0.55) GSK3BKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL3543353 0.83 GSK3B (0.47) GSK3BKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL3536522 0.78 GSK3B (0.56) GSK3BKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL3537844 0.76 GSK3B (0.55) GSK3BKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL3540379 0.74 GSK3B (0.53) GSK3BKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL3539324 0.72 GSK3B (0.58) GSK3BKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL3540845 0.72 GSK3B (0.61) GSK3BKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL2951739 0.72 HPGD (0.46) GSK3BKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL3540241 0.72 GSK3B (0.67) GSK3BKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL3541334 0.72 GSK3B (0.48) GSK3BKDM4EALDH1A1NPC1SMN1; SMN2

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 12 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
EP-1725543-B1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-11-28 EP disclosed
EP-1725543-B1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-11-28 EP 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
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 GSK3B 1/4885KDM4E 1162/4885ALDH1A1 1912/4885

“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.