SCHEMBL2330188

SCHEMBL2330188

COc1ccc2nc(-c3cccc(C)c3)n(-c3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
MAPK10 P53779 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
NPSR1 Q6W5P4 4/20 0.46
RAB9A P51151 2/20 0.46
RPS6KB1 P23443 1/20 0.46
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL2327110 0.94 RPS6KB1 (0.47) HDAC1HDAC8HDAC6ALDH1A1HTT
SCHEMBL2325922 0.89 NPC1 (0.49) HDAC1HDAC8HDAC6ALDH1A1HTT
SCHEMBL2326385 0.88 ALDH1A1 (0.59) HDAC1HDAC8HDAC6ALDH1A1HTT
SCHEMBL2330609 0.88 ALDH1A1 (0.59) ALDH1A1HTTMAPK10HPGDMAPK1
SCHEMBL4589453 0.87 ALDH1A1 (0.57) HDAC1HDAC8HDAC6ALDH1A1HTT
SCHEMBL8026811 0.86 ALDH1A1 (0.48) HDAC1HDAC8HDAC6ALDH1A1HTT
SCHEMBL2323739 0.86 ALDH1A1 (0.45) HDAC1HDAC8HDAC6ALDH1A1HTT
SCHEMBL2326240 0.85 ALDH1A1 (0.52) ALDH1A1HTTMAPK10HPGDMAPK1
SCHEMBL2323260 0.84 ALDH1A1 (0.53) HDAC1HDAC8HDAC6ALDH1A1HTT
SCHEMBL8022075 0.84 RPS6KB1 (0.59) HDAC1HDAC8HDAC6ALDH1A1HTT

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 9 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
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 (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.