SCHEMBL4467733

SCHEMBL4467733

CCONC(=O)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.59
KCNH2 Q12809 1/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
RORC P51449 1/20 0.47
CNR1 P21554 2/20 0.47
ACSS2 Q9NR19 1/20 0.46

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
SCHEMBL4468620 0.90 CNR2 (0.58) CNR2KCNH2KMT2AMEN1ALDH1A1
SCHEMBL3759637 0.85 CNR2 (0.61) CNR2KCNH2CNR1
SCHEMBL3760023 0.84 CNR2 (0.65) CNR2KCNH2
SCHEMBL4467725 0.82 CNR2 (0.58) CNR2KCNH2CNR1
SCHEMBL4469062 0.81 CNR2 (0.62) CNR2KCNH2CNR1
SCHEMBL4467126 0.80 CNR2 (0.61) CNR2KCNH2CNR1
SCHEMBL3767375 0.80 CNR2 (0.53) CNR2KCNH2CNR1
SCHEMBL4474611 0.80 CNR2 (0.57) CNR2KCNH2CNR1
SCHEMBL5641965 0.79 CNR2 (0.58) CNR2KCNH2CNR1
SCHEMBL5968468 0.78 CNR2 (0.60) CNR2KCNH2CNR1

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-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US claimed
JP-2006527247-A 2006-11-30 JP claimed
EP-1636193-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP claimed
WO-2004108688-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-12-16 WO claimed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
EP-1636193-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004108688-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-12-16 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-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof BTF3, TYMS, F3 CNR2 1312/4885KCNH2 990/4885KMT2A 2858/4885

“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.