SCHEMBL2332563

SCHEMBL2332563

Nc1ccc(-c2ccccc2)c(-c2cc(Cl)ccc2[N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PDE7A Q13946 8/20 0.46
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
PDE7B Q9NP56 2/20 0.43
MEN1 O00255 1/20 0.42
PSMD14 O00487 1/20 0.42
PRKACA P17612 1/20 0.42
CASP6 P55212 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KIF18A Q8NI77 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
SCHEMBL17870898 0.86 ALDH1A1 (0.50) TDP1ALDH1A1MAPTNPC1HPGD
SCHEMBL4589115 0.86 PDE7A (0.51) TDP1ALDH1A1MAPTNPC1HPGD
SCHEMBL19997893 0.86 ALDH1A1 (0.61) TDP1ALDH1A1MAPTNPC1HPGD
SCHEMBL26191612 0.86 ALDH1A1 (0.61) TDP1ALDH1A1MAPTNPC1HPGD
SCHEMBL9261807 0.84 ALDH1A1 (0.61) TDP1ALDH1A1MAPTNPC1HPGD
SCHEMBL8772987 0.84 TDP1 (0.61) TDP1ALDH1A1MAPTNPC1TSHR
SCHEMBL19997911 0.83 ALDH1A1 (0.57) TDP1ALDH1A1MAPTNPC1HPGD
SCHEMBL25941799 0.81 ALDH1A1 (0.58) TDP1ALDH1A1MAPTNPC1HPGD
SCHEMBL2327167 0.81 NPC1 (0.45) TDP1ALDH1A1MAPTNPC1HPGD
SCHEMBL25941822 0.78 ALDH1A1 (0.50) TDP1ALDH1A1MAPTNPC1HPGD

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 TDP1 1071/4885ALDH1A1 29/4885MAPT 1799/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG TDP1 1500/4885ALDH1A1 118/4885MAPT 829/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG TDP1 1500/4885ALDH1A1 118/4885MAPT 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.