SCHEMBL5544353

SCHEMBL5544353

O=[C]OCCCC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.60
MAPT P10636 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
LMNA P02545 2/20 0.60
HDAC1 Q13547 5/20 0.55
HDAC8 Q9BY41 5/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53

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
SCHEMBL5543825 0.95 TDP1 (0.63) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL5540193 0.93 TDP1 (0.67) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL5537005 0.93 TDP1 (0.67) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL5540665 0.89 TDP1 (0.53) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL633439 0.81 TDP1 (0.69) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL7068671 0.78 TDP1 (0.95) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL1052631 0.78 TDP1 (0.86) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL7720286 0.78 TDP1 (0.64) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL5214695 0.78 TDP1 (0.64) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL7720290 0.78 TDP1 (0.64) TDP1MAPTL3MBTL1LMNAHDAC1

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 TDP1 4666/4885MAPT 4117/4885L3MBTL1 1931/4885

“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.