SCHEMBL2333799

SCHEMBL2333799

COC(=O)CCCCOc1cc2c(cc1N)nc(-c1ccccc1)n2-c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LTB4R Q15722 2/20 0.42
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DHFR P00374 2/20 0.41
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
P2RY12 Q9H244 3/20 0.39
PTPN1 P18031 1/20 0.39
PDE2A O00408 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
G6PD P11413 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 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
SCHEMBL2323952 0.99 LTB4R (0.43) HDAC1HDAC8HDAC6FABP3FABP4
SCHEMBL2326661 0.97 FABP3 (0.45) HDAC1HDAC8HDAC6FABP3FABP4
SCHEMBL2326944 0.95 DHFR (0.44) HDAC1HDAC8HDAC6ALDH1A1LTB4R
SCHEMBL2326803 0.94 LTB4R (0.45) HDAC1FABP4ALDH1A1LTB4RRAB9A
SCHEMBL7714462 0.93 FABP4 (0.48) HDAC1HDAC8HDAC6FABP3FABP4
SCHEMBL2322819 0.93 LTB4R (0.47) HDAC1FABP4LTB4RDHFRPDE3B
SCHEMBL2328848 0.92 LTB4R (0.45) HDAC1FABP4ALDH1A1LTB4RRAB9A
SCHEMBL7719714 0.92 LTB4R (0.48) HDAC1HDAC8HDAC6FABP3FABP4
SCHEMBL2326853 0.91 DHFR (0.41) HDAC1HDAC8HDAC6FABP3FABP4
SCHEMBL2326115 0.89 LTB4R (0.46) HDAC1LTB4RDHFRPDE3BPDE3A

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 7 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
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 HDAC1 331/4885HDAC8 935/4885HDAC6 610/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG HDAC1 254/4885HDAC8 596/4885HDAC6 422/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG HDAC1 254/4885HDAC8 596/4885HDAC6 422/4885

“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.