SCHEMBL2331629

SCHEMBL2331629

O=C(O)CCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccc(O)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
PDE2A O00408 3/20 0.45
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
P2RY12 Q9H244 1/20 0.45
ALDH2 P05091 8/20 0.45
MAOA P21397 7/20 0.45
MAOB P27338 7/20 0.45
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
GRIA1 P42261 1/20 0.44
CACNG8 Q8WXS5 1/20 0.44
CACNG2 Q9Y698 1/20 0.44
TOP1 P11387 1/20 0.44
HDAC1 Q13547 1/20 0.44
LTB4R Q15722 3/20 0.43

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
SCHEMBL4590119 0.94 LTB4R (0.48) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL2328941 0.94 PPARA (0.48) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL2323904 0.94 PPARA (0.48) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL2323182 0.94 PPARA (0.48) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL9281733 0.93 PDE3B (0.47) ESR1ESR2PPARGPPARAPDE2A
SCHEMBL2327181 0.92 PPARG (0.52) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL2328161 0.91 CYSLTR2 (0.44) ESR1ESR2PPARGPPARAPDE2A
SCHEMBL2330309 0.91 LTB4R (0.52) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL2330389 0.91 LTB4R (0.48) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL2324739 0.90 GAA (0.49) PPARGPPARAPDE2APDE3BPDE3A

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 ESR1 3338/4885ESR2 1993/4885PPARG 391/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ESR1 2965/4885ESR2 1564/4885PPARG 209/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ESR1 2965/4885ESR2 1564/4885PPARG 209/4885

“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.