SCHEMBL2323994

SCHEMBL2323994

COC(=O)CCCCCOc1cc2c(cc1[N+](=O)[O-])nc(-c1ccccc1)n2-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ HTT P42858 2/20 0.40
▸ SIRT2 Q8IXJ6 2/20 0.40
▸ SIRT1 Q96EB6 2/20 0.40
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ FPR2 P25090 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PLA2G2A P14555 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL2328531 0.91 SIRT2 (0.38) LTB4RSMN1; SMN2ALDH1A1HTTSIRT2
SCHEMBL7718961 0.87 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1HTTSIRT2SIRT1
SCHEMBL2322819 0.85 LTB4R (0.47) LTB4RSIRT2SIRT1FPR2PPARG
SCHEMBL2326803 0.84 LTB4R (0.45) LTB4RALDH1A1SIRT2SIRT1MAPT
SCHEMBL2326804 0.83 LTB4R (0.45) LTB4RALDH1A1SIRT2SIRT1FPR2
SCHEMBL2330523 0.83 LTB4R (0.43) LTB4RSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL2328763 0.82 LTB4R (0.46) LTB4RALDH1A1SIRT2SIRT1PPARG
SCHEMBL2330681 0.82 LTB4R (0.46) LTB4RALDH1A1SIRT2SIRT1PPARG
SCHEMBL2330597 0.82 LTB4R (0.46) LTB4RALDH1A1SIRT2SIRT1LMNA
SCHEMBL2328848 0.81 LTB4R (0.45) LTB4RALDH1A1SIRT2SIRT1FPR2

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 14 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 claimed
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 claimed
US-20060211690-A1 Microglia inhibitors for interrupting interleukin 12 and IFNgamma-mediated immune reactions SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-21 — — US claimed
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-14 — — US claimed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 — — US claimed
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 (4 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-20060211690-A1 Microglia inhibitors for interrupting interleukin 12 and IFNgamma-mediated immune reactions IFNG, GMFG, MMP12 LTB4R 57/4885SMN1; SMN2 4006/4885ALDH1A1 3260/4885
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 LTB4R 135/4885SMN1; SMN2 933/4885ALDH1A1 29/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG LTB4R 40/4885SMN1; SMN2 879/4885ALDH1A1 118/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG LTB4R 40/4885SMN1; SMN2 879/4885ALDH1A1 118/4885

“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.

Send feedback