SCHEMBL4469036

SCHEMBL4469036

CCC(C)(C)c1nc2cc(C(=O)N3CCOCC3)ccc2n1CC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
CNR2 P34972 13/20 0.49
PTGER4 P35408 2/20 0.47
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL4474823 0.87 CNR2 (0.49) KMT2ACNR2PTGER4ALDH1A1
SCHEMBL4558239 0.87 CNR2 (0.49) KMT2ACNR2PTGER4HPGDALDH1A1
SCHEMBL4472570 0.87 CNR2 (0.49) KMT2ACNR2PTGER4HPGDALDH1A1
SCHEMBL4558448 0.87 CNR2 (0.49) KMT2ACNR2PTGER4ALDH1A1
SCHEMBL4465784 0.85 CNR2 (0.56) KMT2ACNR2PTGER4ALDH1A1
SCHEMBL4467783 0.82 CNR2 (0.48) KMT2ACNR2PTGER4ALDH1A1
SCHEMBL4463541 0.80 CNR2 (0.46) KMT2ACNR2PTGER4ALDH1A1
SCHEMBL4469896 0.80 CNR2 (0.46) KMT2ACNR2PTGER4ALDH1A1
SCHEMBL4479245 0.79 CNR2 (0.50) KMT2ACNR2PTGER4ALDH1A1
SCHEMBL4472925 0.79 CNR2 (0.56) CNR2

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 KMT2A 2858/4885CNR2 1312/4885PTGER4 275/4885

“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.