SCHEMBL2322948

SCHEMBL2322948

CC(C)OC(=O)CCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.48
PDE3A Q14432 4/20 0.48
P2RY12 Q9H244 3/20 0.48
PDE10A Q9Y233 7/20 0.43
CYP1A2 P05177 6/20 0.43
AR P10275 3/20 0.43
TOP1 P11387 1/20 0.41
HDAC1 Q13547 1/20 0.41
MAPT P10636 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
FAAH O00519 1/20 0.40
PDE2A O00408 2/20 0.40
VDR P11473 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL2323759 0.99 PDE3B (0.47) PDE3BPDE3AP2RY12PDE10ACYP1A2
SCHEMBL2323506 0.99 PDE3B (0.47) PDE3BPDE3AP2RY12PDE10ACYP1A2
SCHEMBL2326865 0.97 PDE3B (0.51) PDE3BPDE3AP2RY12PDE10ACYP1A2
SCHEMBL2323254 0.94 PDE3B (0.45) PDE3BPDE3AP2RY12PDE10ACYP1A2
SCHEMBL2324240 0.94 SIRT2 (0.46) PDE3BPDE3AP2RY12PDE10ACYP1A2
SCHEMBL2329630 0.94 AR (0.46) PDE3BPDE3AP2RY12PDE10ACYP1A2
SCHEMBL2326861 0.93 PDE3B (0.44) PDE3BPDE3AP2RY12PDE10ACYP1A2
SCHEMBL2325270 0.93 AR (0.46) PDE3BPDE3AP2RY12PDE10ACYP1A2
SCHEMBL2329243 0.93 PDE3B (0.44) PDE3BPDE3AP2RY12PDE10ACYP1A2
SCHEMBL2323414 0.93 PDE3B (0.45) PDE3BPDE3AP2RY12PDE10ACYP1A2

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 12 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
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 US 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.