SCHEMBL4468864

SCHEMBL4468864

CCN(CC)C(=O)c1ccc(NCC2CCCCC2)c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.59
ALOX15 P16050 2/20 0.47
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45
PLEC Q15149 1/20 0.45
CDK2 P24941 2/20 0.43
CCNA2 P20248 1/20 0.43
CCNA1 P78396 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
POLB P06746 1/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40

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
SCHEMBL5881655 0.94 PTGER4 (0.66) PTGER4ALOX15HPGDKDM4EALDH1A1
SCHEMBL5646998 0.86 PTGER4 (0.51) PTGER4ALOX15HPGDKDM4EALDH1A1
SCHEMBL5591718 0.85 PTGER4 (0.54) PTGER4HPGDKDM4EALDH1A1GAA
SCHEMBL4459876 0.82 HCAR3 (0.50) ALDH1A1MAPTHTT
SCHEMBL3764360 0.81 PTGER4 (0.70) PTGER4ALOX15HPGDKDM4EALDH1A1
SCHEMBL4461438 0.81 PTGER4 (0.43) PTGER4ALOX15HPGDKDM4EALDH1A1
SCHEMBL5591639 0.81 PTGER4 (0.43) PTGER4ALOX15HPGDKDM4EALDH1A1
SCHEMBL5881693 0.77 ACP1 (0.51) PTGER4HPGDKDM4EALDH1A1GAA
SCHEMBL5591927 0.76 PRKCI (0.61) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL13889153 0.76 PTGER4 (0.42) PTGER4ALOX15OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGER4 275/4885ALOX15 2941/4885HPGD 2757/4885

“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.