SCHEMBL4589324

SCHEMBL4589324

Cc1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.68
MAPK12 P53778 1/20 0.68
MAPK11 Q15759 1/20 0.68
MAPK14 Q16539 1/20 0.68
TDP1 Q9NUW8 5/20 0.58
MAPK1 P28482 4/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
ALDH1A1 P00352 3/20 0.58
CASP7 P55210 1/20 0.58
MAPT P10636 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
EPAS1 Q99814 1/20 0.56
PPIA P62937 1/20 0.54
LMNA P02545 2/20 0.50
XBP1 P17861 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48

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
SCHEMBL6351699 0.83 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14TDP1
SCHEMBL11517583 0.83 ALDH1A1 (0.58) MAPK13MAPK12MAPK11MAPK14TDP1
SCHEMBL7544632 0.82 ALDH1A1 (0.60) MAPK13MAPK12MAPK11MAPK14TDP1
SCHEMBL6655015 0.81 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14TDP1
SCHEMBL6655495 0.81 MAPK14 (0.82) MAPK13MAPK12MAPK11MAPK14TDP1
SCHEMBL4589360 0.81 MAPK1 (0.55) MAPK13MAPK12MAPK11MAPK14TDP1
SCHEMBL9995265 0.80 MEN1 (0.61) MAPK13MAPK12MAPK11MAPK14TDP1
SCHEMBL2197842 0.80 MAPK14 (0.79) MAPK13MAPK12MAPK11MAPK14TDP1
SCHEMBL16634680 0.80 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14TDP1
SCHEMBL7390270 0.80 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14TDP1

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 MAPK13 2333/4885MAPK12 2981/4885MAPK11 2681/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPK13 1793/4885MAPK12 2037/4885MAPK11 2616/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPK13 1793/4885MAPK12 2037/4885MAPK11 2616/4885

“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.