SCHEMBL5540801

SCHEMBL5540801

Fc1cc(F)cc(CN[CH]c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
EGFR P00533 1/20 0.38
NFE2L2 Q16236 2/20 0.37
METAP2 P50579 1/20 0.35
GPR68 Q15743 1/20 0.34
ERAP1 Q9NZ08 1/20 0.33
RIPK1 Q13546 1/20 0.33
NTRK1 P04629 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL5536817 0.86 NFE2L2 (0.47) CCNE2CCNE1CDK2NFE2L2KDM1A
SCHEMBL5534775 0.84 EGFR (0.40) ADH1BADH1CADH1AADH7EGFR
SCHEMBL5534736 0.83 PLA2G1B (0.49) ADH1BADH1CADH1AADH7NFE2L2
SCHEMBL7385255 0.80 ADH1B (0.58) ADH1BADH1CADH1AADH7GAA
SCHEMBL5535940 0.79 KDM1A (0.47) ADH1BADH1CADH1AADH7NFE2L2
SCHEMBL5535117 0.78 KDM1A (0.44) ADH1BADH1CADH1AADH7EGFR
SCHEMBL5544036 0.78 TACR1 (0.39) ADH1BADH1CADH1AADH7EGFR
SCHEMBL5545050 0.75 MAPT (0.38) ADH1BADH1CADH1AADH7L3MBTL1
SCHEMBL5539432 0.75 MMP13 (0.42) ADH1BADH1CADH1AADH7KDM1A
SCHEMBL5542383 0.74 ACHE (0.46) EGFRNFE2L2GAAIDO1

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 CCNE2 1081/4885CCNE1 1424/4885CDK2 1048/4885

“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.