SCHEMBL5542565

SCHEMBL5542565

[CH2]CCc1ccccc1CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR2A P28223 2/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
ABCB1 P08183 2/20 0.42
ADRB2 P07550 1/20 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
SCHEMBL55137 0.87 HTR1A (0.58) HTR1ADRD2MAOAMAOBALDH1A1
SCHEMBL28438552 0.86 HTR1A (0.46) HTR1ADRD2MAOAMAOBALDH1A1
SCHEMBL5541602 0.86 HTR1A (0.48) HTR1ADRD2MAOAMAOBALDH1A1
SCHEMBL5534889 0.84 HTR2A (0.63) DRD2ALDH1A1HPGDALOX15ALOX12
SCHEMBL5537656 0.82 MAOB (0.56) MAOAMAOBALDH1A1HPGDALOX15
SCHEMBL470 0.82
Hydrochloric Acid SCHEMBL10398514 0.79 ALDH1A1 (0.52) MAOAMAOBALDH1A1HPGDALOX15
SCHEMBL22092377 0.79 ALDH1A1 (0.52) HTR1AMAOAMAOBALDH1A1HPGD
Ethylene SCHEMBL28196223 0.79 ALDH1A1 (0.52) HTR1AMAOAMAOBALDH1A1HPGD
SCHEMBL27610715 0.79 ALDH1A1 (0.52) HTR1AMAOAMAOBALDH1A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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 (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HTR1A 4141/4885DRD2 542/4885MAOA 2885/4885

“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.