SCHEMBL3968288

SCHEMBL3968288

CCC(C)(C)c1nc2cc(NC(C)=O)ccc2n1CC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.53
CNR1 P21554 2/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNH2 Q12809 1/20 0.46
ECE1 P42892 1/20 0.44
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
GFER P55789 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
SCHEMBL13876960 0.91 CNR2 (0.52) CNR2CNR1KDM4EALDH1A1MAPT
SCHEMBL3977378 0.91 CNR2 (0.61) CNR2CNR1KDM4EALDH1A1MAPT
SCHEMBL3974268 0.90 CNR2 (0.52) CNR2CNR1KDM4EALDH1A1MAPT
SCHEMBL1608362 0.90 CNR2 (0.55) CNR2CNR1
SCHEMBL3976750 0.89 CNR2 (0.50) CNR2CNR1KDM4EALDH1A1MAPT
SCHEMBL4465784 0.82 CNR2 (0.56) CNR2ALDH1A1KCNH2KMT2A
SCHEMBL3920731 0.82 CNR2 (0.61) CNR2CNR1KCNH2ECE1
SCHEMBL3980081 0.82 CNR2 (0.60) CNR2CNR1KCNH2
SCHEMBL3972587 0.82 CNR2 (0.56) CNR2CNR1KCNH2
SCHEMBL13876938 0.81 CNR2 (0.59) CNR2CNR1ALDH1A1KCNH2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-04-30 US claimed
JP-2006527249-A 2006-11-30 JP claimed
US-20060205802-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2006-09-14 US claimed
EP-1636214-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF Astrazeneca AB (SE) 2006-03-22 EP claimed
WO-2004108712-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-12-16 WO claimed
US-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US disclosed
US-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US disclosed
US-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US disclosed
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-04-30 US disclosed
EP-1670769-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-29 EP disclosed
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20060205802-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2006-09-14 US disclosed
EP-1670769-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP disclosed
EP-1636214-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF Astrazeneca AB (SE) 2006-03-22 EP disclosed
WO-2005030732-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed
WO-2004108712-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 (3 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-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof H1-3, H1-4, CYP3A4 CNR2 724/4885CNR1 696/4885KDM4E 1284/4885
US-20060205802-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof H1-3, CYP2C19, CYP3A4 CNR2 665/4885CNR1 656/4885KDM4E 1355/4885
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof CYP3A4, CYP2C19, H1-3 CNR2 691/4885CNR1 689/4885KDM4E 1447/4885

“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.