SCHEMBL5542405

SCHEMBL5542405

Cc1ccc2ccc([O])nc2c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.61
ALDH1A1 P00352 7/20 0.50
ESR1 P03372 1/20 0.46
CYP2A6 P11509 3/20 0.46
NQO2 P16083 1/20 0.45
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
NCK1 P16333 1/20 0.41
BACE1 P56817 1/20 0.41
PFKFB3 Q16875 1/20 0.41
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5542225 0.84 CYP1A2 (0.63) CYP1A2ALDH1A1CYP2A6NQO2KDM4E
SCHEMBL951793 0.76 CYP1A2 (1.00) CYP1A2ALDH1A1CYP2A6NQO2KDM4E
SCHEMBL28051566 0.76 CYP1A2 (0.67) CYP1A2ALDH1A1ESR1CYP2A6NQO2
SCHEMBL30081469 0.76 CYP1A2 (1.00) CYP1A2ALDH1A1CYP2A6NQO2KDM4E
SCHEMBL31261751 0.76 CYP1A2 (1.00) CYP1A2ALDH1A1CYP2A6NQO2KDM4E
SCHEMBL29660577 0.75 CYP1A2 (0.65) CYP1A2ALDH1A1CYP2A6NQO2KDM4E
SCHEMBL9755328 0.75 CYP1A2 (0.65) CYP1A2ALDH1A1CYP2A6NQO2KDM4E
SCHEMBL5542408 0.73 CYP1A2 (0.61) CYP1A2ALDH1A1ESR1CYP2A6NQO2
SCHEMBL18574395 0.73 CYP1A2 (0.61) CYP1A2ALDH1A1ESR1CYP2A6NQO2
SCHEMBL27780577 0.73 CYP1A2 (0.61) CYP1A2ALDH1A1ESR1CYP2A6NQO2

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 CYP1A2 659/4885ALDH1A1 355/4885ESR1 1578/4885

“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.