SCHEMBL5541904

SCHEMBL5541904

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
NPC1 O15118 3/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
HDAC3 O15379 6/20 0.46
HDAC1 Q13547 6/20 0.46
HDAC2 Q92769 6/20 0.46
HDAC4 P56524 5/20 0.45
HDAC7 Q8WUI4 5/20 0.45
HDAC10 Q969S8 5/20 0.45
HDAC11 Q96DB2 5/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC9 Q9UKV0 5/20 0.45
HDAC5 Q9UQL6 5/20 0.45
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE4B Q07343 1/20 0.44
EPHX2 P34913 2/20 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
SCHEMBL5545911 0.95 MMP2 (0.48) HRH3NPC1MMP2MMP9MMP8
SCHEMBL2090930 0.94 MMP2 (0.47) HRH3NPC1MMP2MMP9MMP8
SCHEMBL2092409 0.90 HRH3 (0.49) HRH3NPC1MMP2MMP9MMP8
SCHEMBL28739818 0.84 HTR7 (0.60) HRH3NPC1MMP2MMP9MMP8
SCHEMBL2743484 0.84 PDE4B (0.64) HRH3NPC1MMP2MMP9MMP8
SCHEMBL2745408 0.83 L3MBTL1 (0.47) HRH3NPC1MMP2MMP9MMP8
SCHEMBL2093772 0.83 MMP2 (0.50) HRH3NPC1MMP2MMP9MMP8
SCHEMBL27629655 0.83 HSD17B3 (0.58) HRH3NPC1MMP2MMP9MMP8
SCHEMBL5541493 0.82 KAT6A (0.48) HDAC3HDAC1HDAC8MRGPRX4
SCHEMBL31322194 0.80 HRH3 (0.49) HRH3NPC1MMP2MMP9MMP8

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 HRH3 420/4885NPC1 2404/4885MMP2 4704/4885

“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.