SCHEMBL2323843

SCHEMBL2323843

CC(C)OC(=O)CCCCCOc1c([N+](=O)[O-])cc2nc(-c3ccccc3)n(-c3ccccc3)c2c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.36
▸ MAPT P10636 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ LTB4R Q15722 2/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33
▸ POLB P06746 2/20 0.33

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
SCHEMBL2330523 0.91 LTB4R (0.43) ALDH1A1MAPTHTTLMNATDP1
SCHEMBL2330793 0.86 ALDH1A1 (0.37) ALDH1A1MAPTRAB9ANPC1NPBWR1
SCHEMBL2328531 0.84 SIRT2 (0.38) ALDH1A1MAPTRAB9ANPC1NPBWR1
SCHEMBL2330528 0.76 LTB4R (0.43) ALDH1A1MAPTRAB9AHTTLMNA
SCHEMBL2326758 0.75 FABP4 (0.38) ALDH1A1MAPTLTB4RPTGS1PTGS2
SCHEMBL2323506 0.75 PDE3B (0.47) MAPTPPARGPDE3BPDE3AP2RY12
SCHEMBL2323759 0.75 PDE3B (0.47) MAPTPPARGPDE3BPDE3AP2RY12
SCHEMBL2330131 0.75 ALDH1A1 (0.45) ALDH1A1MAPTRAB9ANPC1NPBWR1
SCHEMBL2323994 0.74 LTB4R (0.44) ALDH1A1MAPTHTTLMNATDP1
SCHEMBL2322948 0.74 PDE3B (0.48) MAPTPDE3BPDE3AP2RY12FAAH

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 ALDH1A1 29/4885MAPT 1799/4885RAB9A 2686/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ALDH1A1 118/4885MAPT 829/4885RAB9A 2600/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ALDH1A1 118/4885MAPT 829/4885RAB9A 2600/4885

“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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