SCHEMBL4589497

SCHEMBL4589497

Cc1cc(Cl)cc(Nc2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 6/20 0.71
L3MBTL1 Q9Y468 3/20 0.58
MAPK1 P28482 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CASP7 P55210 1/20 0.58
MAPT P10636 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.52
PKM P14618 1/20 0.52
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
KDM4E B2RXH2 1/20 0.47
DHODH Q02127 1/20 0.46
PHGDH O43175 1/20 0.45
NAT1 P18440 1/20 0.43

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
SCHEMBL18055783 0.83 EPAS1 (1.00) EPAS1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL4940284 0.81 TDP1 (0.68) EPAS1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL4057290 0.81 L3MBTL1 (0.68) EPAS1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL4589899 0.81 MAPK1 (0.56) EPAS1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL247794 0.79 L3MBTL1 (0.74) EPAS1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL497223 0.79 MAPK1 (0.74) EPAS1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL4589324 0.77 MAPK13 (0.68) EPAS1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL27083668 0.77 EPAS1 (0.62) EPAS1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL11506844 0.76 ALDH1A1 (0.89) EPAS1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL5388300 0.76 MAPK1 (0.57) EPAS1L3MBTL1MAPK1TDP1ALDH1A1

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 EPAS1 3762/4885L3MBTL1 4438/4885MAPK1 1064/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG EPAS1 3844/4885L3MBTL1 4565/4885MAPK1 1255/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG EPAS1 3844/4885L3MBTL1 4565/4885MAPK1 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.