SCHEMBL2326758

SCHEMBL2326758

CC(C)OC(=O)CCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 5/20 0.38
▸ AVPR2 P30518 1/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.36
▸ LTB4R Q15722 1/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ FPR2 P25090 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ FABP3 P05413 2/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PIK3CD O00329 1/20 0.34

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
SCHEMBL2324129 0.90 LTB4R (0.45) FABP4AVPR2AVPR1APDE3BPDE3A
SCHEMBL2330793 0.86 ALDH1A1 (0.37) FABP4AVPR2AVPR1APDE3BPDE3A
SCHEMBL2323862 0.83 SIRT2 (0.40) FABP4AVPR2AVPR1APDE3BPDE3A
SCHEMBL2323506 0.80 PDE3B (0.47) PDE3BPDE3AP2RY12MAPTPPARA
SCHEMBL2323759 0.80 PDE3B (0.47) PDE3BPDE3AP2RY12MAPTPPARA
SCHEMBL2322948 0.79 PDE3B (0.48) PDE3BPDE3AP2RY12MAPTKCNH2
SCHEMBL2326928 0.78 LTB4R (0.45) FABP4AVPR2AVPR1APDE3BPDE3A
SCHEMBL2328531 0.77 SIRT2 (0.38) FABP4LTB4RMAPTALDH1A1MEN1
SCHEMBL2322879 0.76 SIRT2 (0.43) FABP4PDE3BPDE3AP2RY12LTB4R
SCHEMBL2328338 0.76 SIRT2 (0.43) FABP4PDE3BPDE3AP2RY12LTB4R

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 FABP4 3080/4885AVPR2 2995/4885AVPR1A 3138/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG FABP4 3265/4885AVPR2 3437/4885AVPR1A 3804/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG FABP4 3265/4885AVPR2 3437/4885AVPR1A 3804/4885

“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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