SCHEMBL5545105

SCHEMBL5545105

[CH2]CCCCc1ncc(-c2ccccc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.60
HDAC3 O15379 4/20 0.59
HDAC4 P56524 4/20 0.59
HDAC1 Q13547 4/20 0.59
HDAC7 Q8WUI4 4/20 0.59
HDAC2 Q92769 4/20 0.59
HDAC10 Q969S8 4/20 0.59
HDAC11 Q96DB2 4/20 0.59
HDAC8 Q9BY41 4/20 0.59
HDAC6 Q9UBN7 4/20 0.59
HDAC9 Q9UKV0 4/20 0.59
HDAC5 Q9UQL6 4/20 0.59
NOTUM Q6P988 1/20 0.58
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
FAAH O00519 1/20 0.45

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
SCHEMBL5541886 0.95 NOTUM (0.60) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL5540110 0.88 NOTUM (0.64) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL15621589 0.82 NOTUM (0.60) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL26616389 0.82 NOTUM (0.60) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL14680928 0.81 NOTUM (0.64) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL5542686 0.81 NOTUM (0.68) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL3045891 0.79 HDAC1 (0.76) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL13361951 0.79 HDAC1 (0.61) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL4327548 0.79 HDAC1 (0.76) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL10247700 0.78 RXRA (0.78) HRH3HDAC3HDAC4HDAC1HDAC7

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 HRH3 420/4885HDAC3 108/4885HDAC4 707/4885

“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.