SCHEMBL4589480

SCHEMBL4589480

CC(C)OC(=O)COc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
PDE10A Q9Y233 5/20 0.44
CYP1A2 P05177 4/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
ACSS2 Q9NR19 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AR P10275 2/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL2326865 0.89 PDE3B (0.51) MAPTPDE10ACYP1A2SIRT2SIRT1
SCHEMBL4589082 0.88 ACSS2 (0.54) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL2322948 0.88 PDE3B (0.48) MAPTPDE10ACYP1A2SIRT2SIRT1
SCHEMBL2323759 0.87 PDE3B (0.47) MAPTPDE10ACYP1A2SIRT2SIRT1
SCHEMBL2323506 0.87 PDE3B (0.47) MAPTPDE10ACYP1A2SIRT2SIRT1
SCHEMBL9285828 0.86 ACSS2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2324240 0.83 SIRT2 (0.46) PDE10ACYP1A2SIRT2SIRT1AR
SCHEMBL2323254 0.83 PDE3B (0.45) PDE10ACYP1A2SIRT2SIRT1AR
SCHEMBL2329630 0.82 AR (0.46) MAPTPDE10ACYP1A2ARSMN1; SMN2
SCHEMBL2326861 0.81 PDE3B (0.44) PDE10ACYP1A2SIRT2SIRT1AR

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 9 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 claimed
US-20060211690-A1 Microglia inhibitors for interrupting interleukin 12 and IFNgamma-mediated immune reactions SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-21 US claimed
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-14 US claimed
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 (4 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-20060211690-A1 Microglia inhibitors for interrupting interleukin 12 and IFNgamma-mediated immune reactions IFNG, GMFG, MMP12 MAPT 342/4885PSEN1 155/4885PSEN2 294/4885
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 MAPT 1799/4885PSEN1 243/4885PSEN2 411/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPT 829/4885PSEN1 157/4885PSEN2 163/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPT 829/4885PSEN1 157/4885PSEN2 163/4885

“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.