SCHEMBL5540137

SCHEMBL5540137

CCCc1ccccc1-c1ncc(CO[C]=O)s1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
CYP2C8 P10632 2/20 0.31
CYP2C9 P11712 2/20 0.31
HTR1A P08908 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31
PPARA Q07869 1/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL5539232 0.80 KDM4E (0.42)
SCHEMBL5541836 0.77 HSD17B13 (0.39) L3MBTL1
SCHEMBL5544714 0.76 AVPR2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5540526 0.76 CYP11B1 (0.49) CYP1A2HDAC1HDAC2
SCHEMBL5546252 0.75 KDM4E (0.43)
SCHEMBL5545462 0.71 HDAC1 (0.39) CYP2C9CYP3A4FLT3TYRO3MERTK
SCHEMBL6394159 0.71 ADRA2A (0.43) ADRA2AADRA2BADRA2CHTR1ANISCH
SCHEMBL5537739 0.69 KDM4E (0.40) CYP2C8CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL5540022 0.68 FDPS (0.38)
SCHEMBL5540315 0.68 CYP1A2 (0.45) CYP2C9CYP1A2CYP2C19L3MBTL1HDAC1

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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 ADRA2A 746/4885ADRA2B 396/4885ADRA2C 478/4885

“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.