SCHEMBL2328161

SCHEMBL2328161

O=C(O)CCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccc(OCc4ccccc4)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.44
CYSLTR1 Q9Y271 3/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TOP1 P11387 1/20 0.44
HDAC1 Q13547 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
PDE2A O00408 2/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
P2RY12 Q9H244 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
PDE10A Q9Y233 1/20 0.43
PLA2G2A P14555 1/20 0.42
ESR1 P03372 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
SCHEMBL2323016 0.94 MAPT (0.49) CYSLTR2CYSLTR1HDAC1PPARGPPARA
SCHEMBL2331629 0.91 ESR1 (0.53) KCNH2HRH3TOP1HDAC1PPARG
SCHEMBL4590119 0.91 LTB4R (0.48) TOP1HDAC1PPARGPPARAPDE2A
SCHEMBL2328941 0.91 PPARA (0.48) TOP1HDAC1PPARGPPARAPDE2A
SCHEMBL2323904 0.91 PPARA (0.48) TOP1HDAC1PPARGPPARAPDE2A
SCHEMBL2323182 0.91 PPARA (0.48) TOP1HDAC1PPARGPPARAPDE2A
SCHEMBL2331176 0.91 PDE3B (0.46) KCNH2HRH3TOP1HDAC1PDE2A
SCHEMBL9281733 0.90 PDE3B (0.47) CYSLTR2CYSLTR1TOP1HDAC1PPARG
SCHEMBL2327181 0.89 PPARG (0.52) TOP1HDAC1PPARGPPARAPDE2A
SCHEMBL2330309 0.89 LTB4R (0.52) TOP1HDAC1PPARGPPARAPDE2A

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 CYSLTR2 126/4885CYSLTR1 78/4885KCNH2 1979/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG CYSLTR2 21/4885CYSLTR1 30/4885KCNH2 1994/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG CYSLTR2 21/4885CYSLTR1 30/4885KCNH2 1994/4885

“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.