SCHEMBL2324319

SCHEMBL2324319

O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ HCAR3 P49019 1/20 0.60
▸ CASP7 P55210 1/20 0.60
▸ MAPT P10636 4/20 0.58
▸ POLB P06746 1/20 0.58
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ GAA P10253 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ CXCR2 P25025 5/20 0.51
▸ WNK1 Q9H4A3 1/20 0.51
▸ CTSV O60911 1/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CXCR1 P25024 1/20 0.48
▸ MYC P01106 1/20 0.48
▸ IDO1 P14902 1/20 0.48
▸ GFER P55789 1/20 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
SCHEMBL9943157 0.88 L3MBTL1 (0.70) TDP1L3MBTL1MAPK1ALDH1A1HCAR3
SCHEMBL11549542 0.81 L3MBTL1 (0.68) TDP1L3MBTL1MAPK1ALDH1A1HCAR3
SCHEMBL1437915 0.81 HCAR3 (0.68) TDP1L3MBTL1MAPK1ALDH1A1HCAR3
SCHEMBL5408865 0.81 MEN1 (0.67) TDP1L3MBTL1MAPK1ALDH1A1HCAR3
SCHEMBL13401697 0.79 HCAR3 (0.67) TDP1L3MBTL1MAPK1ALDH1A1HCAR3
SCHEMBL2330801 0.79 SMN1; SMN2 (0.61) TDP1L3MBTL1MAPK1ALDH1A1MAPT
SCHEMBL8619524 0.79 L3MBTL1 (0.69) TDP1L3MBTL1MAPK1ALDH1A1HCAR3
SCHEMBL5211538 0.79 ABCG2 (0.58) TDP1L3MBTL1MAPK1ALDH1A1HCAR3
SCHEMBL11554686 0.77 L3MBTL1 (0.63) TDP1L3MBTL1MAPK1ALDH1A1HCAR3
SCHEMBL14567837 0.76 L3MBTL1 (0.61) TDP1L3MBTL1MAPK1ALDH1A1HCAR3

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 1071/4885L3MBTL1 4438/4885MAPK1 1064/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG TDP1 1500/4885L3MBTL1 4565/4885MAPK1 1255/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG TDP1 1500/4885L3MBTL1 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.

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