SCHEMBL2096729

SCHEMBL2096729

FC(F)(F)c1ccc(OC2CCN(c3cc[c]cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.45
LIPG Q9Y5X9 4/20 0.44
LIPC P11150 1/20 0.44
FPR2 P25090 1/20 0.44
PROKR1 Q8TCW9 1/20 0.44
LIPE Q05469 1/20 0.44
EPHX2 P34913 1/20 0.44
ADRB2 P07550 1/20 0.43
MMP13 P45452 4/20 0.42
MMP2 P08253 3/20 0.42
MMP12 P39900 1/20 0.42
NOTUM Q6P988 1/20 0.42
FFAR1 O14842 3/20 0.41
CYP3A4 P08684 1/20 0.41
PRKAA2 P54646 1/20 0.40

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
SCHEMBL5538976 0.89 FFAR1 (0.38) TEAD1LIPGLIPCFPR2PROKR1
SCHEMBL2095970 0.86 KCNH2 (0.51) FPR2PROKR1EPHX2MMP13MMP2
SCHEMBL2089459 0.85 LIPG (0.45) LIPGLIPCNOTUM
SCHEMBL5541736 0.84 DEGS1 (0.48) TEAD1LIPGLIPCFPR2PROKR1
SCHEMBL13279685 0.84 DEGS1 (0.48) TEAD1LIPGLIPCFPR2PROKR1
SCHEMBL12441780 0.84 HTR1A (0.47) TEAD1LIPGFPR2PROKR1LIPE
SCHEMBL2091975 0.84 TEAD1 (0.47) TEAD1LIPGLIPCFPR2PROKR1
SCHEMBL28818529 0.84 TEAD1 (0.44) TEAD1LIPGLIPCFPR2PROKR1
SCHEMBL5542537 0.84 LIPE (0.43) TEAD1LIPGLIPCFPR2PROKR1
SCHEMBL20346997 0.84 HRH3 (0.57) TEAD1EPHX2CYP3A4PRKAA2

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 11 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-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-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 TEAD1 3059/4885LIPG 4880/4885LIPC 4604/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 TEAD1 2436/4885LIPG 4882/4885LIPC 4547/4885

“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.