SCHEMBL4590129

SCHEMBL4590129

CC(C)(C)C(=O)OCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.45
CYP1A2 P05177 6/20 0.45
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
PIN1 Q13526 3/20 0.43
ESRRA P11474 1/20 0.42
BRD4 O60885 1/20 0.42
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ACSS2 Q9NR19 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 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
SCHEMBL4589895 0.89 PDE2A (0.48) PDE10ACYP1A2SIRT2SIRT1PIN1
SCHEMBL2322816 0.87 CYP1A2 (0.44) PDE10ACYP1A2SIRT2SIRT1PIN1
SCHEMBL2326333 0.86 CYP1A2 (0.45) PDE10ACYP1A2SIRT2SIRT1PIN1
SCHEMBL9281733 0.84 PDE3B (0.47) PDE10ACYP1A2ESR1ESR2
SCHEMBL2323904 0.83 PPARA (0.48) PDE10ACYP1A2
SCHEMBL2328941 0.83 PPARA (0.48) PDE10ACYP1A2
SCHEMBL2323182 0.83 PPARA (0.48) PDE10ACYP1A2
SCHEMBL9281680 0.83 PDE3B (0.47) PDE10ACYP1A2SIRT2SIRT1KCNH2
SCHEMBL2327085 0.83 FGFR1 (0.54) PDE10ACYP1A2KCNH2HRH3ACSS2
SCHEMBL2327609 0.83 FAAH (0.56) PDE10ACYP1A2SIRT2SIRT1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345075-B2 6-[(1,2-diphenyl-1H-benzimidazol-6-yl)oxy]hexanoic acid isopropyl ester; antiinflammatory agents; microglia activators; neurodegenerative diseases SCHERING AKTIENGESELLSCHAFT (DE) 2008-03-18 US disclosed
US-7329679-B2 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7115645-B2 1,2 diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-14 US disclosed
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 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 (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-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 PDE10A 1678/4885CYP1A2 13/4885SIRT2 1457/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG PDE10A 1501/4885CYP1A2 52/4885SIRT2 739/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG PDE10A 1501/4885CYP1A2 52/4885SIRT2 739/4885

“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.