SCHEMBL2329630

SCHEMBL2329630

Cc1cccc(-c2nc3ccc(OCCCCCC(=O)OC(C)C)cc3n2-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.46
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
P2RY12 Q9H244 2/20 0.44
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.43
PDE10A Q9Y233 4/20 0.41
CYP1A2 P05177 3/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 1/20 0.40
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
HCRTR1 O43613 1/20 0.39
HDAC1 Q13547 2/20 0.38
TOP1 P11387 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL2325270 0.96 AR (0.46) ARPDE3BPDE3AP2RY12PPARG
SCHEMBL2323506 0.95 PDE3B (0.47) ARPDE3BPDE3AP2RY12PPARG
SCHEMBL2323759 0.95 PDE3B (0.47) ARPDE3BPDE3AP2RY12PPARG
SCHEMBL2322948 0.94 PDE3B (0.48) ARPDE3BPDE3AP2RY12PDE10A
SCHEMBL2331979 0.92 AVPR1B (0.44) ARPDE3BPDE3AP2RY12PPARG
SCHEMBL2324240 0.92 SIRT2 (0.46) ARPDE3BPDE3AP2RY12PPARG
SCHEMBL2323254 0.92 PDE3B (0.45) ARPDE3BPDE3AP2RY12PPARG
SCHEMBL2326865 0.91 PDE3B (0.51) ARPDE3BPDE3AP2RY12PDE10A
SCHEMBL2323414 0.90 PDE3B (0.45) ARPDE3BPDE3AP2RY12PPARG
SCHEMBL2329717 0.90 PDE3B (0.48) PDE3BPDE3AP2RY12PPARGPPARA

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 AR 4797/4885PDE3B 362/4885PDE3A 483/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG AR 4776/4885PDE3B 319/4885PDE3A 415/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG AR 4776/4885PDE3B 319/4885PDE3A 415/4885

“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.