SCHEMBL4588988

SCHEMBL4588988

CC(=O)Oc1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
HPGD P15428 2/20 0.58
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
AKR1C3 P42330 3/20 0.53
AKR1C2 P52895 3/20 0.53
AKR1B10 O60218 1/20 0.53
AKR1B1 P15121 1/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C1 Q04828 1/20 0.53
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
POLB P06746 1/20 0.52
CTSV O60911 2/20 0.51
CTSL P07711 2/20 0.51
GFER P55789 1/20 0.49
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL9820982 0.79 MAPT (0.66) MAPTHPGDMAPK1ALDH1A1TDP1
SCHEMBL27434871 0.78 MEN1 (0.68) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL28547592 0.78 MEN1 (0.57) MAPTHPGDMAPK1ALDH1A1TDP1
SCHEMBL29787109 0.77 F2 (0.60) ALDH1A1LMNA
SCHEMBL916164 0.77 F2 (0.60) ALDH1A1LMNA
SCHEMBL29069577 0.77 MAPT (0.69) MAPTHPGDMAPK1ALDH1A1TDP1
SCHEMBL11121676 0.77 MAPT (0.52) MAPTHPGDMAPK1ALDH1A1TDP1
SCHEMBL28472004 0.76 F2 (0.58) ALDH1A1LMNA
SCHEMBL293916 0.76 MAPT (0.72) MAPTHPGDMAPK1ALDH1A1TDP1
SCHEMBL7350368 0.76 MAPT (0.59) MAPTMAPK1ALDH1A1AKR1C3AKR1C2

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 6 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
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 US 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 MAPT 1799/4885HPGD 254/4885MAPK1 1064/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPT 829/4885HPGD 186/4885MAPK1 1255/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPT 829/4885HPGD 186/4885MAPK1 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.