SCHEMBL5535543

SCHEMBL5535543

CCCCOc1ccc(CNC=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
PDE4A P27815 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
S1PR2 O95136 2/20 0.51
S1PR1 P21453 2/20 0.51
S1PR3 Q99500 2/20 0.51
LPAR2 Q9HBW0 2/20 0.51
LMNA P02545 3/20 0.50
FAAH O00519 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48

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
SCHEMBL5540212 0.86 NQO1 (0.52) SMN1; SMN2LMNAALDH1A1ADH1BADH1C
SCHEMBL14418362 0.83 CYP2D6 (0.52) KDM4ECYP2D6ALDH1A1
SCHEMBL5544088 0.80 ADH1B (0.53) SMN1; SMN2CYP2D6S1PR2S1PR1S1PR3
SCHEMBL10052930 0.80 S1PR2 (0.55) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL28014313 0.79 MAPT (0.54) LMNAALDH1A1MAPTADH1BADH1C
SCHEMBL6715390 0.79 S1PR1 (0.53) KDM4EHIF1AS1PR2S1PR1S1PR3
SCHEMBL14058827 0.79 S1PR2 (0.65) SMN1; SMN2CYP1A2CYP2D6S1PR2S1PR1
SCHEMBL24061769 0.79 HRH3 (0.54) SMN1; SMN2LMNA
SCHEMBL1987106 0.78 ALDH1A1 (0.55) ALDH1A1HPGDADH1BADH1CADH1A
SCHEMBL12954755 0.78 S1PR2 (0.56) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A

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 SMN1; SMN2 3985/4885KDM4E 4854/4885CYP1A2 659/4885

“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.