SCHEMBL5544230

SCHEMBL5544230

CCCC(C)C(=O)OCc1cncs1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 3/20 0.45
CYP3A4 P08684 8/20 0.44
HTT P42858 2/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
CTSK P43235 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACACB O00763 1/20 0.39

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
SCHEMBL5542514 0.92 CTSK (0.47) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL5540088 0.84 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL14162629 0.83 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL14100412 0.79 NPC1 (0.54) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL5540669 0.76 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL836547 0.76 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL5074460 0.76 TDP1 (0.58) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL21946532 0.75 CYP3A4 (0.59) RAB9ANPC1SMN1; SMN2TDP1LMNA
Hydrochloric Acid SCHEMBL5073886 0.74 TDP1 (0.56) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL13534694 0.74 TDP1 (0.60) RAB9ANPC1SMN1; SMN2TDP1LMNA

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 RAB9A 2824/4885NPC1 2404/4885SMN1; SMN2 3985/4885

“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.