SCHEMBL5536600

SCHEMBL5536600

C=CCCCc1ccc([O])cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.38
HDAC4 P56524 1/20 0.38
THRB P10828 8/20 0.38
THRA P10827 6/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR8 Q9NR97 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
FAAH O00519 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL5542872 0.94 USP2 (0.42) HDAC1HDAC4THRBTHRAMEN1
SCHEMBL29819537 0.89 HDAC1 (0.43) HDAC1HDAC4THRBTHRAMEN1
SCHEMBL5543474 0.86 THRB (0.34) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL11328438 0.81 TDP1 (0.48) HDAC1HDAC4THRBTHRAMEN1
SCHEMBL11336193 0.79 TDP1 (0.52) HDAC1HDAC4THRBTHRAMEN1
SCHEMBL12989712 0.79 TDP1 (0.52) HDAC1HDAC4THRBTHRAMEN1
SCHEMBL7791414 0.79 ALDH1A1 (0.40) HDAC1HDAC4THRBTHRAMEN1
SCHEMBL8063254 0.78 THRB (0.55) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL8062755 0.78 TAAR1 (0.46) HDAC1HDAC4ALDH1A1USP2HPGD
SCHEMBL8077551 0.78 THRB (0.48) THRBTHRAMEN1KMT2AALDH1A1

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
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
US-4720533-A Polyorganophosphazene curable in atmosphere ETHYL CORPORATION (US) 1988-01-19 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 (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 HDAC1 322/4885HDAC4 707/4885THRB 488/4885

“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.