SCHEMBL4589360

SCHEMBL4589360

COc1cc(Nc2ccccc2[N+](=O)[O-])ccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.55
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 5/20 0.55
L3MBTL1 Q9Y468 5/20 0.55
CASP7 P55210 1/20 0.55
MAPT P10636 9/20 0.54
GAA P10253 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
PKM P14618 1/20 0.54
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 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
SCHEMBL6659240 0.86 MEN1 (0.53) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL11517802 0.85 MAPK1 (0.54) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL21463344 0.85 EPAS1 (0.55) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL30615629 0.85 EPAS1 (0.55) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL11515290 0.83 MAPK1 (0.54) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL7544632 0.83 ALDH1A1 (0.60) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL6654383 0.82 MAPK13 (0.73) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL23926961 0.81 L3MBTL1 (0.48) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL30079634 0.81 L3MBTL1 (0.48) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL11517583 0.81 ALDH1A1 (0.58) MAPK1ALDH1A1TDP1L3MBTL1CASP7

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 MAPK1 1064/4885ALDH1A1 29/4885TDP1 1071/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPK1 1255/4885ALDH1A1 118/4885TDP1 1500/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPK1 1255/4885ALDH1A1 118/4885TDP1 1500/4885

“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.