SCHEMBL2323733

SCHEMBL2323733

COC(=O)CCCCCOc1ccc([N+](=O)[O-])c(Nc2cccc(OC)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
HPGD P15428 1/20 0.55
AKR1C3 P42330 4/20 0.53
AKR1C2 P52895 4/20 0.53
AKR1B10 O60218 2/20 0.53
AKR1B1 P15121 2/20 0.53
AKR1C4 P17516 2/20 0.53
AKR1C1 Q04828 2/20 0.53
FBP1 P09467 5/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALPG P10696 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
JAK2 O60674 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7717769 0.92 MAPT (0.58) MAPTHPGDAKR1C3AKR1C2AKR1B10
SCHEMBL5408884 0.90 AKR1C3 (0.50) MAPTHPGDAKR1C3AKR1C2AKR1B10
SCHEMBL2324511 0.90 MAPT (0.54) MAPTAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL2328576 0.90 CTSV (0.54) MAPTHPGDAKR1C3AKR1C2AKR1B10
SCHEMBL2328867 0.86 FBP1 (0.50) MAPTHPGDAKR1C3AKR1C2AKR1B10
SCHEMBL2323214 0.86 HDAC1 (0.47) MAPTAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL2329245 0.85 ALDH1A1 (0.46) MAPTHPGDAKR1C3AKR1C2AKR1B10
SCHEMBL2327051 0.85 KMT2A (0.47) MAPTHPGDAKR1C3AKR1C2AKR1B10
SCHEMBL2213212 0.85 MAPT (0.45) MAPTAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL2326393 0.84 FBP1 (0.47) MAPTHPGDAKR1C3AKR1C2AKR1B10

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 MAPT 1799/4885HPGD 254/4885AKR1C3 2106/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPT 829/4885HPGD 186/4885AKR1C3 2964/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPT 829/4885HPGD 186/4885AKR1C3 2964/4885

“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.