SCHEMBL2326535

SCHEMBL2326535

O=C(O)CCCCCOc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.52
RAB9A P51151 4/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
AHR P35869 1/20 0.48
CASP6 P55212 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 6/20 0.48
HTT P42858 2/20 0.48
RXFP1 Q9HBX9 2/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 2/20 0.42
MAPT P10636 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
PDE2A O00408 3/20 0.42
PDE3B Q13370 3/20 0.42

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
SCHEMBL9285226 0.96 LTB4R (0.52) LTB4RRAB9APOLBMEN1KMT2A
SCHEMBL9287251 0.95 RAB9A (0.51) LTB4RRAB9APOLBMEN1KMT2A
SCHEMBL2330673 0.91 ALDH1A1 (0.45) LTB4RRAB9APOLBMEN1KMT2A
SCHEMBL9278755 0.91 LMNA (0.48) LTB4RRAB9APOLBMEN1KMT2A
SCHEMBL2323598 0.91 ALDH1A1 (0.44) LTB4RRAB9APOLBMEN1KMT2A
SCHEMBL9278243 0.90 RAB9A (0.49) LTB4RRAB9APOLBMEN1KMT2A
SCHEMBL2328941 0.90 PPARA (0.48) LTB4RPDE2APDE3BPDE3AP2RY12
SCHEMBL2323904 0.90 PPARA (0.48) LTB4RPDE2APDE3BPDE3AP2RY12
SCHEMBL2323182 0.90 PPARA (0.48) LTB4RPDE2APDE3BPDE3AP2RY12
SCHEMBL9281733 0.88 PDE3B (0.47) LTB4RPDE2APDE3BPDE3AP2RY12

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-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 LTB4R 135/4885RAB9A 2686/4885POLB 3310/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG LTB4R 40/4885RAB9A 2600/4885POLB 3017/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG LTB4R 40/4885RAB9A 2600/4885POLB 3017/4885

“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.