Sugi Predict

Sugi Predict / Compounds / SCHEMBL4589277

SCHEMBL4589277

SCHEMBL4589277

CCOC(=O)CNCC(=O)CCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 8/20 0.44
▸ SIRT2 Q8IXJ6 2/20 0.42
▸ SIRT1 Q96EB6 2/20 0.42
▸ FAAH O00519 2/20 0.42
▸ PLA2G2A P14555 1/20 0.41
▸ TOP1 P11387 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ PDE10A Q9Y233 2/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.40
▸ SOAT2 O75908 2/20 0.39
▸ SOAT1 P35610 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL2327609 0.86 FAAH (0.56) LTA4HSIRT2SIRT1FAAHPLA2G2A
SCHEMBL4588630 0.85 PDE3B (0.51) SIRT2SIRT1TOP1HDAC1CYP1A2
SCHEMBL2328370 0.85 PDE3B (0.51) SIRT2SIRT1TOP1HDAC1CYP1A2
SCHEMBL2324735 0.85 PDE3B (0.51) SIRT2SIRT1TOP1HDAC1CYP1A2
SCHEMBL4589280 0.84 SIRT2 (0.47) LTA4HSIRT2SIRT1FAAHPLA2G2A
SCHEMBL2326995 0.84 PDE3B (0.51) SIRT2SIRT1TOP1HDAC1CYP1A2
SCHEMBL2323182 0.82 PPARA (0.48) TOP1HDAC1CYP1A2PDE10APDE3B
SCHEMBL2323904 0.82 PPARA (0.48) TOP1HDAC1CYP1A2PDE10APDE3B
SCHEMBL2328941 0.82 PPARA (0.48) TOP1HDAC1CYP1A2PDE10APDE3B
SCHEMBL2329922 0.82 PDE3B (0.46) SIRT2SIRT1FAAHTOP1HDAC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 — — US 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 LTA4H 214/4885SIRT2 1457/4885SIRT1 1514/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG LTA4H 159/4885SIRT2 739/4885SIRT1 1022/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG LTA4H 159/4885SIRT2 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.