SCHEMBL2329102

SCHEMBL2329102

COc1ccc(S(=O)(=O)N(c2ccc3c(c2)nc(-c2ccccc2)n3-c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 2/20 0.46
ALDH1A1 P00352 8/20 0.46
NPSR1 Q6W5P4 4/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PGR P06401 2/20 0.41
G6PD P11413 1/20 0.41
HPGD P15428 1/20 0.41
NR3C1 P04150 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
OXTR P30559 2/20 0.39
PTGS2 P35354 1/20 0.39
PTPN22 Q9Y2R2 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
SCHEMBL4588933 0.91 MAPT (0.50) ALDH1A1LMNAPGRHPGDHTT
SCHEMBL2330847 0.89 SIRT2 (0.50) SIRT2SIRT1ALDH1A1NPSR1LMNA
SCHEMBL2333148 0.89 SIRT2 (0.47) SIRT2SIRT1ALDH1A1HDAC1HDAC8
SCHEMBL2326870 0.86 SIRT2 (0.44) SIRT2SIRT1ALDH1A1LMNAHDAC1
SCHEMBL2329183 0.83 SIRT2 (0.46) SIRT2SIRT1ALDH1A1LMNAHDAC1
SCHEMBL2331148 0.80 PTGS2 (0.44) SIRT2SIRT1ALDH1A1NPSR1RAB9A
SCHEMBL2326320 0.80 MAPT (0.58) ALDH1A1LMNAPGRHPGDHTT
SCHEMBL2331360 0.78 SIRT2 (0.43) SIRT2SIRT1HTTPTGS2
SCHEMBL2327951 0.77 KEAP1 (0.43) SIRT2SIRT1ALDH1A1SMN1; SMN2KEAP1
SCHEMBL2330571 0.77 SIRT2 (0.52) SIRT2SIRT1ALDH1A1HDAC1HDAC8

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-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-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 (2 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 SIRT2 1457/4885SIRT1 1514/4885ALDH1A1 29/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG SIRT2 739/4885SIRT1 1022/4885ALDH1A1 118/4885

“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.