SCHEMBL5544182

SCHEMBL5544182

CCCCCc1ccc(CNc2cc[c]cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR2 O95136 4/20 0.47
S1PR4 O95977 2/20 0.47
PLK1 P53350 3/20 0.46
SPHK1 Q9NYA1 1/20 0.46
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL5541984 0.98 S1PR1 (0.49) S1PR1S1PR3S1PR2S1PR4PLK1
SCHEMBL5548312 0.95 HPGD (0.42) S1PR1S1PR3S1PR2S1PR4PLK1
SCHEMBL5542520 0.88 MEN1 (0.44) HSD17B10KDM4EALDH1A1CYP3A4
SCHEMBL5536321 0.87 SPHK1 (0.46) S1PR1S1PR3S1PR2S1PR4SPHK1
SCHEMBL10931913 0.86 SPHK1 (0.58) S1PR1S1PR3S1PR2S1PR4PLK1
SCHEMBL5544141 0.85 SPHK1 (0.48) S1PR1S1PR3S1PR2S1PR4SPHK1
SCHEMBL5543459 0.83 UNG (0.48) SPHK1ESR1ADRA2AADORA3TACR2
SCHEMBL5545933 0.81 HPGD (0.42) PLK1SPHK1HSD17B10ALDH1A1LMNA
SCHEMBL5542462 0.81 UNG (0.50) SPHK1ESR1ADRA2AADORA3TACR2
SCHEMBL3426470 0.81 PLK1 (0.61) S1PR1S1PR3S1PR2S1PR4PLK1

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 6 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 S1PR1 3596/4885S1PR3 2779/4885S1PR2 3640/4885

“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.