SCHEMBL2330180

SCHEMBL2330180

COc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 2/20 0.60
▸ MAPT P10636 5/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ AKR1C3 P42330 4/20 0.53
▸ AKR1C2 P52895 4/20 0.53
▸ AKR1B10 O60218 2/20 0.52
▸ AKR1B1 P15121 2/20 0.52
▸ AKR1C4 P17516 2/20 0.52
▸ AKR1C1 Q04828 2/20 0.52
▸ IDO1 P14902 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ ALDH3A1 P30838 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ ACP1 P24666 1/20 0.45
▸ CTSV O60911 1/20 0.44

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
SCHEMBL4930929 0.88 MAPT (0.68) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL2327235 0.86 AKR1C3 (0.53) MERTKMAPTMAPK1TDP1L3MBTL1
SCHEMBL29623803 0.84 MAPT (0.71) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL20603932 0.84 MAPT (0.71) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL2327024 0.84 MAPT (0.59) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL2902186 0.83 MERTK (0.53) MERTKMAPTMAPK1TDP1L3MBTL1
SCHEMBL9995200 0.83 AKR1C3 (0.58) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL2214114 0.83 MAPT (0.58) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL2328384 0.83 MAPT (0.58) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL2902625 0.83 MERTK (0.52) MERTKMAPTMAPK1TDP1L3MBTL1

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 MERTK 1887/4885MAPT 1799/4885MAPK1 1064/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MERTK 940/4885MAPT 829/4885MAPK1 1255/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MERTK 940/4885MAPT 829/4885MAPK1 1255/4885

“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.

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