SCHEMBL5537656

SCHEMBL5537656

[CH2]CCc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.56
MAOA P21397 4/20 0.56
FFAR1 O14842 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
HTR2A P28223 2/20 0.48
CYP2A6 P11509 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
KCNH2 Q12809 1/20 0.46
HDAC1 Q13547 2/20 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
SCHEMBL470 0.94
SCHEMBL22092377 0.92 ALDH1A1 (0.52) MAOBMAOAALDH1A1HPGDALOX15
Hydrochloric Acid SCHEMBL10398514 0.92 ALDH1A1 (0.52) MAOBMAOAALDH1A1HPGDALOX15
SCHEMBL5546491 0.90 CALM1 (0.60) MAOBMAOAALDH1A1HPGDALOX15
SCHEMBL2745550 0.85 GFER (0.42) MAOBMAOAALDH1A1HPGDALOX15
SCHEMBL12506236 0.85 MAOB (0.72) MAOBMAOAFFAR1ALDH1A1HPGD
SCHEMBL55138 0.85 MAOB (0.72) MAOBMAOAFFAR1ALDH1A1HPGD
Dimethylamine SCHEMBL3933478 0.84 TAAR1 (0.56) MAOBMAOAALDH1A1HPGDALOX15
SCHEMBL1005387 0.84 FFAR1 (0.54) FFAR1ALDH1A1TAAR1KCNH2
SCHEMBL5543918 0.83 MAOB (0.56) MAOBMAOAFFAR1ALDH1A1HPGD

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 MAOB 2140/4885MAOA 2885/4885FFAR1 105/4885

“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.