SCHEMBL4589082

SCHEMBL4589082

COC(=O)COc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 2/20 0.54
FAAH O00519 2/20 0.51
CYP1A2 P05177 4/20 0.46
ALDH1A1 P00352 4/20 0.46
PDE10A Q9Y233 3/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL2331493 0.91 ACSS2 (0.46) ACSS2FAAHCYP1A2ALDH1A1PDE10A
SCHEMBL2327702 0.89 CYP1A2 (0.44) ACSS2CYP1A2PDE10AGAACYP2C19
SCHEMBL4588629 0.89 FAAH (0.47) ACSS2FAAHCYP1A2ALDH1A1MAPT
SCHEMBL9285828 0.89 ACSS2 (0.50) ACSS2CYP1A2ALDH1A1PDE10ASIRT2
SCHEMBL2323588 0.88 PDE3B (0.50) ACSS2FAAHCYP1A2PDE10AGAA
SCHEMBL4589480 0.88 MAPT (0.55) ACSS2CYP1A2ALDH1A1PDE10AMAPT
SCHEMBL2326995 0.87 PDE3B (0.51) CYP1A2PDE10AGAACYP2C19SIRT2
SCHEMBL4588630 0.86 PDE3B (0.51) CYP1A2PDE10AGAACYP2C19SIRT2
SCHEMBL2324735 0.86 PDE3B (0.51) CYP1A2PDE10AGAACYP2C19SIRT2
SCHEMBL2328370 0.86 PDE3B (0.51) CYP1A2PDE10AGAACYP2C19SIRT2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ACSS2 2455/4885FAAH 820/4885CYP1A2 13/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ACSS2 2518/4885FAAH 756/4885CYP1A2 52/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ACSS2 2518/4885FAAH 756/4885CYP1A2 52/4885

“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.