SCHEMBL2327342

SCHEMBL2327342

CC(C)OC(=O)CCCCCOc1ccc2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 3/20 0.41
PPARG P37231 2/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
P2RY12 Q9H244 1/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
DRD2 P14416 2/20 0.41
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39

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
SCHEMBL2326901 0.95 PPARG (0.41) GSRPPARGPDE3BPDE3AP2RY12
SCHEMBL2326097 0.91 PDE3B (0.44) GSRPPARGPDE3BPDE3AP2RY12
SCHEMBL2323759 0.90 PDE3B (0.47) PPARGPDE3BPDE3AP2RY12HDAC1
SCHEMBL2323506 0.90 PDE3B (0.47) PPARGPDE3BPDE3AP2RY12HDAC1
SCHEMBL2325270 0.89 AR (0.46) PPARGPDE3BPDE3AP2RY12HDAC1
SCHEMBL2326521 0.89 GSR (0.46) GSRPPARGPDE3BPDE3AP2RY12
SCHEMBL2322948 0.89 PDE3B (0.48) PDE3BPDE3AP2RY12HDAC1AR
SCHEMBL2324281 0.89 PDE3B (0.43) PPARGPDE3BPDE3AP2RY12HDAC1
SCHEMBL2329630 0.87 AR (0.46) PPARGPDE3BPDE3AP2RY12HDAC1
SCHEMBL2326865 0.86 PDE3B (0.51) PDE3BPDE3AP2RY12ALDH1A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246808-B1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION BAYER SCHERING PHARMA AG (DE) 2011-08-17 EP 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 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-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 US claimed
EP-1246808-B1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION BAYER SCHERING PHARMA AG (DE) 2011-08-17 EP disclosed
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 GSR 1744/4885PPARG 1301/4885PDE3B 734/4885
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 GSR 1239/4885PPARG 391/4885PDE3B 362/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG GSR 1317/4885PPARG 209/4885PDE3B 319/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG GSR 1317/4885PPARG 209/4885PDE3B 319/4885

“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.