SCHEMBL4590040

SCHEMBL4590040

O=C(O)CCCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccc4c(c3)CCC4)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
PDE2A O00408 3/20 0.41
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
P2RY12 Q9H244 1/20 0.41
POLB P06746 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TOP1 P11387 1/20 0.41

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
SCHEMBL2329859 1.00 KDM4E (0.47) KDM4ELMNAMAPTHPGDMEN1
SCHEMBL2359473 0.91 KDM4E (0.44) KDM4ELMNAMAPTHPGDMEN1
SCHEMBL2327766 0.91 KDM4E (0.44) KDM4ELMNAMAPTHPGDMEN1
SCHEMBL2324732 0.87 HPGD (0.45) KDM4ELMNAMAPTHPGDMEN1
SCHEMBL2327887 0.87 PPARG (0.46) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL4590119 0.87 LTB4R (0.48) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL2323182 0.87 PPARA (0.48) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL2323904 0.87 PPARA (0.48) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL2328941 0.87 PPARA (0.48) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL9281733 0.86 PDE3B (0.47) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2893/4885LMNA 4114/4885MAPT 1799/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG KDM4E 2372/4885LMNA 4128/4885MAPT 829/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG KDM4E 2372/4885LMNA 4128/4885MAPT 829/4885

“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.