SCHEMBL2330801

SCHEMBL2330801

Cc1ccc(Nc2cc(O)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ LMNA P02545 4/20 0.61
▸ ATM Q13315 1/20 0.61
▸ MAPK1 P28482 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ KMT2A Q03164 5/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ ALDH3A1 P30838 1/20 0.47
▸ GAA P10253 2/20 0.45
▸ HTT P42858 2/20 0.44
▸ PKM P14618 1/20 0.42
▸ MERTK Q12866 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ABCC1 P33527 1/20 0.41
▸ ABCG2 Q9UNQ0 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
SCHEMBL2326905 0.83 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNAATMMAPK1
SCHEMBL2324319 0.79 TDP1 (0.60) ALDH1A1MAPK1MAPTTDP1L3MBTL1
SCHEMBL11648151 0.75 MEN1 (0.60) SMN1; SMN2ALDH1A1LMNAATMMAPK1
SCHEMBL29642899 0.74 MERTK (0.54) SMN1; SMN2ALDH1A1LMNAATMMAPK1
SCHEMBL17940769 0.74 MERTK (0.54) SMN1; SMN2ALDH1A1LMNAATMMAPK1
SCHEMBL28514134 0.72 MEN1 (0.60) SMN1; SMN2ALDH1A1LMNAATMMAPK1
SCHEMBL62337 0.72 GPR35 (0.54) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
SCHEMBL13206377 0.72 MAPK1 (0.48) SMN1; SMN2ALDH1A1LMNAATMMAPK1
SCHEMBL1249104 0.71 KMT2A (0.63) SMN1; SMN2ALDH1A1LMNAATMMAPK1
SCHEMBL8374513 0.71 MAPK1 (0.60) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT

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 SMN1; SMN2 933/4885ALDH1A1 29/4885LMNA 4114/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG SMN1; SMN2 879/4885ALDH1A1 118/4885LMNA 4128/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG SMN1; SMN2 879/4885ALDH1A1 118/4885LMNA 4128/4885

“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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