SCHEMBL2326804

SCHEMBL2326804

COC(=O)CCCCCOc1cc2c(cc1NC(C)=O)nc(-c1ccccc1)n2-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 1/20 0.45
▸ SIRT2 Q8IXJ6 2/20 0.40
▸ SIRT1 Q96EB6 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ FPR2 P25090 2/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ TOP1 P11387 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL2322819 0.86 LTB4R (0.47) LTB4RSIRT2SIRT1FPR2PPARG
SCHEMBL2326803 0.85 LTB4R (0.45) LTB4RSIRT2SIRT1FPR2PPARG
SCHEMBL2323994 0.83 LTB4R (0.44) LTB4RSIRT2SIRT1FPR2PPARG
SCHEMBL2330597 0.83 LTB4R (0.46) LTB4RSIRT2SIRT1FPR2PPARG
SCHEMBL2330681 0.83 LTB4R (0.46) LTB4RSIRT2SIRT1PPARGPPARA
SCHEMBL2328763 0.83 LTB4R (0.46) LTB4RSIRT2SIRT1PPARGPPARA
SCHEMBL2323891 0.83 ACLY (0.42) LTB4RCYP1A2GAACYP2C19FABP4
SCHEMBL2328848 0.82 LTB4R (0.45) LTB4RSIRT2SIRT1FPR2PPARG
SCHEMBL2324981 0.82 ACLY (0.42) LTB4RCYP1A2GAACYP2C19FABP4
SCHEMBL4588630 0.81 PDE3B (0.51) LTB4RSIRT2SIRT1FPR2CYP1A2

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 LTB4R 135/4885SIRT2 1457/4885SIRT1 1514/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG LTB4R 40/4885SIRT2 739/4885SIRT1 1022/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG LTB4R 40/4885SIRT2 739/4885SIRT1 1022/4885

“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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