SCHEMBL2095129

SCHEMBL2095129

[CH2]CCCCCOC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
TGM2 P21980 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC13A3 Q8WWT9 1/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 2/20 0.44
MTOR P42345 2/20 0.44
CASP1 P29466 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.43
KIF11 P52732 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL2092349 0.99 EPHX2 (0.50) EPHX2TGM2MEN1KMT2ASLC13A3
SCHEMBL2098102 0.94 EPHX2 (0.51) EPHX2TGM2MEN1KMT2ASLC13A3
SCHEMBL2096450 0.88 EPHX2 (0.54) EPHX2TGM2MEN1KMT2ASLC13A3
SCHEMBL21059230 0.86 SMN1; SMN2 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL21059218 0.84 RAB9A (0.58) EPHX2MEN1KMT2ANPC1RAB9A
SCHEMBL21059240 0.83 RAB9A (0.63) EPHX2MEN1KMT2ANPC1RAB9A
SCHEMBL2088749 0.82 EPHX2 (0.58) EPHX2TGM2MEN1KMT2ANPC1
SCHEMBL21059171 0.80 SMN1; SMN2 (0.61) EPHX2MEN1KMT2ASLC13A3NPC1
SCHEMBL2092836 0.80 L3MBTL1 (0.56) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5597234 0.79 RAB9A (0.67) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 EPHX2 3472/4885TGM2 2418/4885MEN1 4525/4885

“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.