SCHEMBL4589991

SCHEMBL4589991

COC(=O)c1ccc(COc2ccc3nc(-c4ccccc4)n(-c4ccccc4)c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
KCNH2 Q12809 1/20 0.53
SIRT2 Q8IXJ6 2/20 0.48
SIRT1 Q96EB6 2/20 0.48
DRD2 P14416 1/20 0.48
TBXA2R P21731 1/20 0.48
CYP1A2 P05177 3/20 0.46
PDE10A Q9Y233 3/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.45
APAF1 O14727 1/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4589726 0.95 CYP3A4 (0.51) CYP3A4KCNH2SIRT2SIRT1DRD2
SCHEMBL4590428 0.94 CYP3A4 (0.49) CYP3A4KCNH2SIRT2SIRT1DRD2
SCHEMBL2324669 0.90 NR4A1 (0.49) SIRT2SIRT1CYP1A2PDE10ASMN1; SMN2
SCHEMBL6443505 0.85 DRD2 (0.53) SIRT2SIRT1DRD2TBXA2RKMT2A
SCHEMBL4589082 0.81 ACSS2 (0.54) SIRT2SIRT1CYP1A2PDE10AKMT2A
SCHEMBL2331176 0.80 PDE3B (0.46) KCNH2CYP1A2PDE10AKMT2AMEN1
SCHEMBL2327702 0.80 CYP1A2 (0.44) SIRT2SIRT1CYP1A2PDE10ACYP2C19
SCHEMBL2327572 0.79 MAPT (0.47) CYP1A2PDE10AKMT2AMEN1MAPT
SCHEMBL2323588 0.79 PDE3B (0.50) SIRT2SIRT1CYP1A2PDE10ACYP2C19
SCHEMBL9285828 0.79 ACSS2 (0.50) SIRT2SIRT1CYP1A2PDE10AKMT2A

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 CYP3A4 47/4885KCNH2 1979/4885SIRT2 1457/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG CYP3A4 154/4885KCNH2 1994/4885SIRT2 739/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG CYP3A4 154/4885KCNH2 1994/4885SIRT2 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.