SCHEMBL5542827

SCHEMBL5542827

CC(=O)CCCc1ccc([O])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 3/20 0.50
HDAC1 Q13547 4/20 0.45
HDAC3 O15379 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
SLC6A3 Q01959 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 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
SCHEMBL5541443 0.94 ALDH1A1 (0.48) HSD17B10ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL5537456 0.92 MAPT (0.48) HSD17B10ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL5539893 0.92 MAPT (0.48) HSD17B10ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL5534617 0.87 ALDH1A1 (0.65) HSD17B10ALDH1A1SLC6A3SMN1; SMN2NPC1
SCHEMBL1909485 0.83 HSD17B10 (0.52) HSD17B10ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL106915 0.83 ESR1 (0.53) HSD17B10ALDH1A1SLC6A3KDM4ELMNA
SCHEMBL105767 0.83 HSD17B10 (0.52) HSD17B10ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL4541923 0.83 HSD17B10 (0.52) HSD17B10ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL5181157 0.82 HSD17B10 (0.50) HSD17B10ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL5020740 0.82 ALDH1A1 (0.70) HSD17B10ALDH1A1HDAC1HDAC3HDAC2

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 HSD17B10 467/4885ALDH1A1 355/4885HDAC1 322/4885

“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.