SCHEMBL5536610

SCHEMBL5536610

[CH2]CCCC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
MMP1 P03956 1/20 0.58
PTPN1 P18031 2/20 0.58
GSK3B P49841 2/20 0.58
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HSD11B1 P28845 1/20 0.46
DRD2 P14416 1/20 0.46
SRD5A2 P31213 1/20 0.46
MMP2 P08253 1/20 0.45
MMP8 P22894 1/20 0.45
PDPK1 O15530 1/20 0.44
HRH3 Q9Y5N1 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
SCHEMBL2091453 0.95 HDAC1 (0.65) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL2089281 0.93 HDAC1 (0.68) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL2095727 0.89 MMP1 (0.62) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL26135918 0.85 MMP1 (0.76) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL23049765 0.82 HDAC1 (0.67) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL5509133 0.82 HDAC1 (0.62) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL5849402 0.82 HDAC1 (0.67) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL2743312 0.82 HDAC1 (0.62) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL2634195 0.82 HTR7 (0.66) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL2745403 0.81 HDAC1 (0.57) HDAC1HDAC8MMP1PTPN1GSK3B

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 HDAC1 322/4885HDAC8 993/4885MMP1 4662/4885

“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.