SCHEMBL5540488

SCHEMBL5540488

CCCCCCN(C)CCCCCCCCCCCCCCOC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
DNM1 Q05193 4/20 0.41
GGPS1 O95749 4/20 0.40
KDM5A P29375 4/20 0.40
KDM4C Q9H3R0 2/20 0.39
PHF8 Q9UPP1 1/20 0.39
FDPS P14324 1/20 0.39
AGTR1 P30556 1/20 0.39
OPRM1 P35372 1/20 0.39
PDE3A Q14432 1/20 0.39
ADH1C P00326 2/20 0.38
ADH1A P07327 2/20 0.38
ADH4 P08319 2/20 0.38
EPHX1 P07099 1/20 0.38
ADH1B P00325 1/20 0.38
ADH7 P40394 1/20 0.38
KDM5C P41229 1/20 0.37

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
SCHEMBL5542815 1.00 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL7489795 0.92 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL6199544 0.92 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL5542153 0.88 S1PR2 (0.36) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL5540536 0.86 ADH1C (0.39) DNM1KDM5AKDM4CPHF8ADH1C
SCHEMBL5535070 0.86 ADH1C (0.39) DNM1KDM5AKDM4CPHF8ADH1C
SCHEMBL93202 0.85 TSHR (0.46) ADH1CADH1AADH4EPHX1ADH1B
SCHEMBL55804 0.85 TSHR (0.46) ADH1CADH1AADH4EPHX1ADH1B
SCHEMBL77313 0.85 TSHR (0.46) ADH1CADH1AADH4EPHX1ADH1B
Hexyl Formate SCHEMBL59493 0.85

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 S1PR2 3640/4885S1PR1 3596/4885S1PR3 2779/4885

“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.