SCHEMBL4589206

SCHEMBL4589206

Nc1cc2nc(-c3ccccc3)n(-c3ccccc3)c2cc1OCCCCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.45
LTB4R Q15722 11/20 0.44
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
FABP3 P05413 3/20 0.41
HDAC3 O15379 1/20 0.39
PTK2 Q05397 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL7719681 0.94 LTB4R (0.48) FABP4LTB4RSIRT2SIRT1
SCHEMBL7719714 0.92 LTB4R (0.48) FABP4LTB4RFABP3HDAC1HDAC8
SCHEMBL7714462 0.91 FABP4 (0.48) FABP4LTB4RSIRT2SIRT1FABP3
SCHEMBL2322819 0.90 LTB4R (0.47) FABP4LTB4RSIRT2SIRT1HDAC1
SCHEMBL2326803 0.89 LTB4R (0.45) FABP4LTB4RSIRT2SIRT1HDAC1
SCHEMBL2323862 0.88 SIRT2 (0.40) FABP4LTB4RSIRT2SIRT1HDAC1
SCHEMBL2328848 0.86 LTB4R (0.45) FABP4LTB4RSIRT2SIRT1HDAC1
SCHEMBL2323952 0.84 LTB4R (0.43) FABP4LTB4RFABP3HDAC1HDAC8
SCHEMBL2333799 0.83 HDAC1 (0.43) FABP4LTB4RSIRT2SIRT1FABP3
SCHEMBL2327497 0.83 LTB4R (0.48) FABP4LTB4RSIRT2SIRT1

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 FABP4 3080/4885LTB4R 135/4885SIRT2 1457/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG FABP4 3265/4885LTB4R 40/4885SIRT2 739/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG FABP4 3265/4885LTB4R 40/4885SIRT2 739/4885

“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.