SCHEMBL2328397

SCHEMBL2328397

Cc1cccc(-c2nc3ccc(OCCCCCC(=O)O)cc3n2-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
HCRTR1 O43613 1/20 0.46
PDE3B Q13370 4/20 0.46
PDE3A Q14432 4/20 0.46
PDE2A O00408 3/20 0.46
LTB4R Q15722 6/20 0.45
P2RY12 Q9H244 2/20 0.45
CYP1A2 P05177 2/20 0.44
PDE10A Q9Y233 2/20 0.44
ATM Q13315 1/20 0.43
PDPK1 O15530 1/20 0.43
LMNA P02545 1/20 0.43
DPP4 P27487 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL2323295 0.95 PPARG (0.53) PPARGPPARAHCRTR1PDE3BPDE3A
SCHEMBL2323904 0.93 PPARA (0.48) PPARGPPARAPDE3BPDE3APDE2A
SCHEMBL2328941 0.93 PPARA (0.48) PPARGPPARAPDE3BPDE3APDE2A
SCHEMBL2323182 0.93 PPARA (0.48) PPARGPPARAPDE3BPDE3APDE2A
SCHEMBL9281733 0.92 PDE3B (0.47) PPARGPPARAPDE3BPDE3APDE2A
SCHEMBL2329717 0.92 PDE3B (0.48) PPARGPPARAPDE3BPDE3APDE2A
SCHEMBL2327181 0.91 PPARG (0.52) PPARGPPARAPDE3BPDE3APDE2A
SCHEMBL2329776 0.91 SIRT2 (0.51) PPARGPPARAPDE3BPDE3APDE2A
SCHEMBL2333555 0.90 PPARG (0.46) PPARGPPARAPDE3BPDE3APDE2A
SCHEMBL2329821 0.89 PPARG (0.50) PPARGPPARAPDE3BPDE3APDE2A

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
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
EP-1246808-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-09 EP disclosed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 US disclosed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 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 (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 PPARG 391/4885PPARA 840/4885HCRTR1 1026/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG PPARG 209/4885PPARA 521/4885HCRTR1 1300/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG PPARG 209/4885PPARA 521/4885HCRTR1 1300/4885

“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.