SCHEMBL2090978

SCHEMBL2090978

[CH2]OCC(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.63
ALDH1A1 P00352 2/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
HPGD P15428 1/20 0.59
KMT2A Q03164 6/20 0.59
MEN1 O00255 4/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GAA P10253 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPT P10636 2/20 0.56
XBP1 P17861 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
ATM Q13315 1/20 0.53
TRPV1 Q8NER1 2/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL2090981 0.84 KMT2A (0.66) EPHX2ALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL2092934 0.82 EPHX2 (0.69) EPHX2ALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL2092931 0.82 EPHX2 (0.69) EPHX2ALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL6002399 0.82 ALDH1A1 (0.64) EPHX2ALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL2088523 0.81 EPHX2 (0.58) EPHX2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL31499794 0.81 EPHX2 (0.67) EPHX2ALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL1945608 0.81 EPHX2 (0.67) EPHX2ALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL14990844 0.81 EPHX2 (0.67) EPHX2ALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL8286979 0.81 EPHX2 (0.67) EPHX2ALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL27985508 0.81 EPHX2 (0.67) EPHX2ALDH1A1CYP1A2CYP2C19HPGD

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 3 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

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 3472/4885ALDH1A1 412/4885CYP1A2 420/4885

“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.