SCHEMBL2329922

SCHEMBL2329922

CN(C)C(=O)CCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
P2RY12 Q9H244 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 2/20 0.45
CYP1A2 P05177 6/20 0.44
PDE10A Q9Y233 6/20 0.44
HDAC1 Q13547 2/20 0.43
TOP1 P11387 1/20 0.43
FAAH O00519 1/20 0.43
PDK2 Q15119 1/20 0.43
ACSS2 Q9NR19 1/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
GRIN2B Q13224 1/20 0.40
HDAC2 Q92769 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL2324248 0.92 PDE3B (0.42) PDE3BPDE3AP2RY12SIRT2SIRT1
SCHEMBL2361332 0.91 HDAC1 (0.43) PDE3BPDE3AP2RY12SIRT2SIRT1
SCHEMBL2323598 0.90 ALDH1A1 (0.44) PDE3BPDE3AP2RY12SIRT2SIRT1
SCHEMBL4590062 0.89 PDE10A (0.42) PDE3BPDE3AP2RY12SIRT2SIRT1
SCHEMBL2360007 0.89 SIRT2 (0.41) SIRT2SIRT1CYP1A2PDE10AHDAC1
SCHEMBL2323182 0.89 PPARA (0.48) PDE3BPDE3AP2RY12CYP1A2PDE10A
SCHEMBL2328941 0.89 PPARA (0.48) PDE3BPDE3AP2RY12CYP1A2PDE10A
SCHEMBL2323904 0.89 PPARA (0.48) PDE3BPDE3AP2RY12CYP1A2PDE10A
SCHEMBL2324753 0.89 PDE10A (0.44) PDE3BPDE3AP2RY12SIRT2SIRT1
SCHEMBL4589280 0.88 SIRT2 (0.47) PDE3BPDE3AP2RY12SIRT2SIRT1

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 14 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 claimed
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 claimed
US-20060211690-A1 Microglia inhibitors for interrupting interleukin 12 and IFNgamma-mediated immune reactions SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-21 US claimed
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-14 US claimed
EP-1246808-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-09 EP claimed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 US claimed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 WO claimed
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
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 (4 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-20060211690-A1 Microglia inhibitors for interrupting interleukin 12 and IFNgamma-mediated immune reactions IFNG, GMFG, MMP12 PDE3B 734/4885PDE3A 1196/4885P2RY12 45/4885
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 PDE3B 362/4885PDE3A 483/4885P2RY12 565/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG PDE3B 319/4885PDE3A 415/4885P2RY12 232/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG PDE3B 319/4885PDE3A 415/4885P2RY12 232/4885

“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.