SCHEMBL5539629

SCHEMBL5539629

[CH2]CCN(C)c1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
POLQ O75417 1/20 0.36
RORC P51449 1/20 0.35
IDO1 P14902 2/20 0.34
CYP1A2 P05177 5/20 0.34
CYP2C19 P33261 4/20 0.34
ALDH1A1 P00352 3/20 0.34
USP2 O75604 3/20 0.34
CYP2D6 P10635 3/20 0.34
ACP1 P24666 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CYP3A4 P08684 4/20 0.33
TSHR P16473 3/20 0.33
ALOX15 P16050 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 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
SCHEMBL5542515 0.89 ESR1 (0.39) ESR1POLQRORCIDO1CYP1A2
SCHEMBL5539229 0.85 ESR1 (0.39) ESR1POLQRORCIDO1CYP1A2
SCHEMBL9229560 0.80 ESR1 (0.46) ESR1POLQHDAC6TDP1SLC6A2
SCHEMBL5544248 0.77 TAAR1 (0.41) ESR1ALDH1A1ACHE
SCHEMBL7986684 0.76 HDAC6 (0.41) ESR1POLQRORCHDAC6CNR2
SCHEMBL5535666 0.76 SLC6A3 (0.39) ALDH1A1SLC6A2SLC6A4HSD11B1L3MBTL1
SCHEMBL30454780 0.76 ACP1 (0.46) ESR1POLQRORCIDO1CYP1A2
SCHEMBL1768874 0.76 ACP1 (0.46) ESR1POLQRORCIDO1CYP1A2
SCHEMBL5540709 0.73 TAAR1 (0.41) ESR1CYP1A2TSHRLMNASLC6A2
SCHEMBL9821084 0.71 ALDH1A1 (0.44) ESR1POLQRORCIDO1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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 ESR1 1578/4885POLQ 3428/4885RORC 19/4885

“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.