SCHEMBL535405

SCHEMBL535405

[CH2]COc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
AOC3 Q16853 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.42
EPHX2 P34913 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
KCNH2 Q12809 3/20 0.41
SCN10A Q9Y5Y9 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
GPR3 P46089 1/20 0.39
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
LMNA P02545 1/20 0.39
SLC7A5 Q01650 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2094247 0.94 SCN5A (0.45) MAOBAOC3L3MBTL1KCNH2SCN10A
SCHEMBL1045849 0.83 MAOB (0.45) MAOBAOC3L3MBTL1MAPTEPHX2
SCHEMBL1044621 0.81 MAOB (0.47) MAOBAOC3L3MBTL1MAPTEPHX2
SCHEMBL4707838 0.80 NQO1 (0.47) MAOBL3MBTL1MAPTTSHRLMNA
SCHEMBL254957 0.80 MAPT (0.56) MAOBAOC3L3MBTL1MAPTEPHX2
SCHEMBL2005052 0.79 SYK (0.41) MAOBMRGPRX4KCNH2SCN10AGPR3
SCHEMBL1044641 0.79 EPHX2 (0.47) MAOBAOC3L3MBTL1EPHX2MRGPRX4
SCHEMBL11378368 0.79 NQO1 (0.40) MAPTALDH1A1TSHRKDM4E
SCHEMBL1046561 0.78 EPHX2 (0.46) MAOBAOC3L3MBTL1EPHX2MRGPRX4
SCHEMBL8778595 0.78 EPHX2 (0.46) MAOBAOC3L3MBTL1EPHX2MRGPRX4

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US 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
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-2144898-B1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2012-02-08 EP disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
WO-2007043542-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-19 WO disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO 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 (5 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAOB 1633/4885AOC3 344/4885L3MBTL1 734/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MAOB 2140/4885AOC3 259/4885L3MBTL1 1931/4885
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R MAOB 53/4885AOC3 483/4885L3MBTL1 2576/4885
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 MAOB 1907/4885AOC3 97/4885L3MBTL1 818/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 MAOB 393/4885AOC3 625/4885L3MBTL1 3467/4885

“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.