SCHEMBL4589067

SCHEMBL4589067

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
HTT P42858 1/20 0.42
TOP1 P11387 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LTB4R Q15722 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
AHR P35869 1/20 0.41
CASP6 P55212 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41

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
SCHEMBL2324340 0.91 SMN1; SMN2 (0.47) ALDH1A1MAPTTOP1HDAC1SMN1; SMN2
SCHEMBL2328359 0.89 HPGD (0.46) ALDH1A1RAB9AMAPTNPC1NPBWR1
SCHEMBL2330673 0.89 ALDH1A1 (0.45) ALDH1A1RAB9AMAPTNPC1NPBWR1
SCHEMBL2326535 0.88 LTB4R (0.52) ALDH1A1RAB9AMAPTNPC1NPBWR1
SCHEMBL2324458 0.88 MEN1 (0.46) ALDH1A1RAB9AMAPTNPC1NPBWR1
SCHEMBL2323598 0.86 ALDH1A1 (0.44) ALDH1A1RAB9AMAPTNPC1NPBWR1
SCHEMBL2361332 0.85 HDAC1 (0.43) ALDH1A1TOP1HDAC1SMN1; SMN2TSHR
SCHEMBL2329703 0.85 RAB9A (0.45) ALDH1A1RAB9AMAPTNPC1NPBWR1
SCHEMBL9285226 0.85 LTB4R (0.52) ALDH1A1RAB9AMAPTNPC1NPBWR1
SCHEMBL2323963 0.84 RAB9A (0.46) ALDH1A1RAB9AMAPTNPC1NPBWR1

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 ALDH1A1 29/4885RAB9A 2686/4885MAPT 1799/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ALDH1A1 118/4885RAB9A 2600/4885MAPT 829/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ALDH1A1 118/4885RAB9A 2600/4885MAPT 829/4885

“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.