SCHEMBL5534628

SCHEMBL5534628

Cc1cnc2cc([O])ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.57
CCR1 P32246 2/20 0.52
CCR5 P51681 2/20 0.52
CCR8 P51685 2/20 0.52
OGA O60502 1/20 0.40
KDM4E B2RXH2 1/20 0.38
PSMD14 O00487 1/20 0.38
COPS5 Q92905 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NCK1 P16333 1/20 0.37
BACE1 P56817 1/20 0.37
PARP1 P09874 1/20 0.37
HPGDS O60760 2/20 0.36
CYP2A6 P11509 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
KDR P35968 1/20 0.35
ESR2 Q92731 1/20 0.34

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
SCHEMBL5537406 0.84 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8KDM4E
SCHEMBL7747338 0.81 CYP1A2 (0.63) CYP1A2CCR1CCR5CCR8OGA
SCHEMBL5543030 0.76 ALDH1A1 (0.50) CYP1A2CCR1CCR5CCR8KDM4E
SCHEMBL12991057 0.76 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8OGA
SCHEMBL12686653 0.76 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8OGA
SCHEMBL435765 0.76 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8OGA
SCHEMBL4540744 0.76 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8OGA
SCHEMBL5534632 0.76 ESR2 (0.59) CYP1A2CCR1CCR5CCR8OGA
SCHEMBL29612573 0.76 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8OGA
SCHEMBL16070947 0.76 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8OGA

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 659/4885CCR1 564/4885CCR5 551/4885

“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.