SCHEMBL2096450

SCHEMBL2096450

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
TGM2 P21980 1/20 0.51
SLC13A3 Q8WWT9 1/20 0.48
KIF11 P52732 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
TRPV1 Q8NER1 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS1 P23219 2/20 0.45
MGLL Q99685 1/20 0.45

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
SCHEMBL2098102 0.91 EPHX2 (0.51) EPHX2TGM2SLC13A3KIF11NPC1
SCHEMBL2092349 0.90 EPHX2 (0.50) EPHX2TGM2SLC13A3KIF11NPC1
SCHEMBL2095129 0.88 EPHX2 (0.49) EPHX2TGM2SLC13A3KIF11NPC1
SCHEMBL2090698 0.88 SMN1; SMN2 (0.43) EPHX2SLC13A3NPC1RAB9AMEN1
SCHEMBL2088749 0.87 EPHX2 (0.58) EPHX2TGM2KIF11NPC1RAB9A
SCHEMBL21059171 0.84 SMN1; SMN2 (0.61) EPHX2SLC13A3NPC1RAB9AMEN1
SCHEMBL2090096 0.82 MAPT (0.58) SLC13A3RAB9AMEN1KMT2ALMNA
SCHEMBL21059240 0.82 RAB9A (0.63) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL7471768 0.81 MAPT (0.59) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL21059218 0.81 RAB9A (0.58) EPHX2NPC1RAB9AMEN1KMT2A

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 2418/4885SLC13A3 3505/4885

“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.