SCHEMBL2324702

SCHEMBL2324702

Cc1ccc(-n2c(-c3ccccc3)nc3ccc(OCCCCCC(=O)O)cc32)cc1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
LTB4R Q15722 9/20 0.45
PDE3B Q13370 6/20 0.45
PDE3A Q14432 6/20 0.45
PDE2A O00408 4/20 0.45
P2RY12 Q9H244 3/20 0.44
TOP1 P11387 1/20 0.43
HDAC1 Q13547 1/20 0.43
PLA2G2A P14555 1/20 0.41
DPP4 P27487 1/20 0.40

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
SCHEMBL2323606 0.92 LTB4R (0.48) TP53PPARGPPARALTB4RPDE3B
SCHEMBL2324248 0.91 PDE3B (0.42) TP53PPARGPPARAPDE3BPDE3A
SCHEMBL2327887 0.90 PPARG (0.46) PPARGPPARALTB4RPDE3BPDE3A
SCHEMBL2327181 0.90 PPARG (0.52) PPARGPPARALTB4RPDE3BPDE3A
SCHEMBL4590119 0.90 LTB4R (0.48) PPARGPPARALTB4RPDE3BPDE3A
SCHEMBL2328941 0.90 PPARA (0.48) PPARGPPARALTB4RPDE3BPDE3A
SCHEMBL2323904 0.90 PPARA (0.48) PPARGPPARALTB4RPDE3BPDE3A
SCHEMBL2323182 0.90 PPARA (0.48) PPARGPPARALTB4RPDE3BPDE3A
SCHEMBL2330309 0.89 LTB4R (0.52) PPARGPPARALTB4RPDE3BPDE3A
SCHEMBL2323156 0.89 TP53 (0.40) TP53PPARGPPARATOP1HDAC1

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 TP53 4468/4885PPARG 391/4885PPARA 840/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG TP53 4001/4885PPARG 209/4885PPARA 521/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG TP53 4001/4885PPARG 209/4885PPARA 521/4885

“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.