SCHEMBL4558239

SCHEMBL4558239

CCC(C)(C)c1nc2cc(C(=O)N3CC(C)OC(C)C3)ccc2n1CC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.49
PTGER4 P35408 2/20 0.44
BRD4 O60885 5/20 0.43
KCNH2 Q12809 1/20 0.43
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL4472570 1.00 CNR2 (0.49) CNR2PTGER4BRD4KCNH2HSD17B10
SCHEMBL4469036 0.87 KMT2A (0.51) CNR2PTGER4ALDH1A1KMT2AHPGD
SCHEMBL4465784 0.85 CNR2 (0.56) CNR2PTGER4KCNH2HSD17B10L3MBTL1
SCHEMBL4467783 0.84 CNR2 (0.48) CNR2PTGER4KCNH2MEN1ALDH1A1
SCHEMBL4474823 0.84 CNR2 (0.49) CNR2PTGER4KCNH2MEN1ALDH1A1
SCHEMBL4469896 0.80 CNR2 (0.46) CNR2PTGER4KCNH2MEN1ALDH1A1
SCHEMBL4463541 0.80 CNR2 (0.46) CNR2PTGER4KCNH2MEN1ALDH1A1
SCHEMBL4479245 0.79 CNR2 (0.50) CNR2PTGER4KCNH2MEN1ALDH1A1
SCHEMBL4472567 0.78 CNR2 (0.44) CNR2PTGER4KCNH2MEN1ALDH1A1
SCHEMBL4558448 0.78 CNR2 (0.49) CNR2PTGER4KCNH2MEN1ALDH1A1

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 10 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

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 1312/4885PTGER4 275/4885BRD4 278/4885

“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.