SCHEMBL2333555

SCHEMBL2333555

O=C(O)CCCCCOc1ccc2nc(-c3cccc(Cl)c3)n(-c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
DHFR P00374 3/20 0.45
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
PDE2A O00408 3/20 0.43
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
P2RY12 Q9H244 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AVPR1B P47901 6/20 0.43
MDM2 Q00987 1/20 0.43
LTB4R Q15722 4/20 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
SCHEMBL4588340 0.95 PPARG (0.46) PPARGPPARADHFRFABP3FABP4
SCHEMBL2323904 0.91 PPARA (0.48) PPARGPPARAFABP4PDE2APDE3B
SCHEMBL2328941 0.91 PPARA (0.48) PPARGPPARAFABP4PDE2APDE3B
SCHEMBL2323182 0.91 PPARA (0.48) PPARGPPARAFABP4PDE2APDE3B
SCHEMBL2327135 0.91 PDE3B (0.46) PDE2APDE3BPDE3AP2RY12AVPR1B
SCHEMBL2328397 0.90 PPARG (0.54) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL2330389 0.90 LTB4R (0.48) PPARGPPARAFABP3FABP4PDE2A
SCHEMBL2330559 0.90 LTB4R (0.51) PPARGPPARAFABP3FABP4PDE2A
SCHEMBL9281733 0.90 PDE3B (0.47) PPARGPPARAFABP4PDE2APDE3B
SCHEMBL2326287 0.89 FGFR1 (0.47) DHFRPDE2ASMN1; SMN2AVPR1BMDM2

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 840/4885DHFR 1302/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG PPARG 209/4885PPARA 521/4885DHFR 1199/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG PPARG 209/4885PPARA 521/4885DHFR 1199/4885

“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.