SCHEMBL3041966

SCHEMBL3041966

O=CN1CC(=O)Nc2cccc(Cl)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
AKR1C3 P42330 1/20 0.37
EPHX2 P34913 1/20 0.37
CES1 P23141 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AHR P35869 1/20 0.36
CASP3 P42574 1/20 0.35
CASP2 P42575 1/20 0.35
ACE P12821 1/20 0.35
MMP13 P45452 1/20 0.35
PDE7A Q13946 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35

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
SCHEMBL13150917 0.78 CRBN (0.42) ALDH1A1KDM4EHTTAKR1C3EPHX2
SCHEMBL1346020 0.74 ALDH1A1 (0.38) ALDH1A1KDM4EHTTAKR1C3EPHX2
SCHEMBL6648901 0.73 EPHX2 (0.51) ALDH1A1KDM4EHTTEPHX2MEN1
SCHEMBL8633112 0.69 AHR (0.42) ALDH1A1KDM4EHTTCES1MEN1
SCHEMBL21257756 0.67 MMP13 (0.51) ALDH1A1KDM4EHTTEPHX2MEN1
SCHEMBL4047908 0.66 CES1 (0.47) ALDH1A1KDM4EHTTEPHX2CES1
SCHEMBL1727967 0.65
SCHEMBL5741470 0.64 ADRA2A (0.51) ALDH1A1KDM4EHTTEPHX2ACE
SCHEMBL624585 0.64 CCNB2 (0.54) KDM4ECES1AHRACEMMP13
SCHEMBL29622057 0.64 CCNB2 (0.54) KDM4ECES1AHRACEMMP13

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP claimed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP claimed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 WO claimed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
CN-101328150-A New benzimidazole derivatives ASTRAZENECA AB (SE) 2008-12-24 CN disclosed
CN-100413849-C Benzimidazole derivatives ASTRAZENECA AB (SE) 2008-08-27 CN disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US disclosed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN disclosed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP disclosed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI ALDH1A1 668/4885KDM4E 2187/4885HTT 3463/4885

“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.