SCHEMBL2088951

SCHEMBL2088951

CC1CCN(Oc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.55
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.41
TP53 P04637 1/20 0.41
EPHX1 P07099 2/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
CCR6 P51684 1/20 0.38
KCNH2 Q12809 1/20 0.38
HSD11B1 P28845 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
MGLL Q99685 1/20 0.36
GRM2 Q14416 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL2088948 0.83 EPHX2 (0.42) EPHX2ALDH1A1TSHRHTR2AEPHX1
SCHEMBL2091737 0.83 MEN1 (0.45) EPHX2
SCHEMBL2091359 0.80 EPHX2 (0.53) EPHX2TP53EPHX1HSD11B1KDM2B
SCHEMBL435084 0.80 EPHX2 (0.55) EPHX2ALDH1A1KCNH2
SCHEMBL31114511 0.79 EPHX2 (0.50) EPHX2ALDH1A1TSHRTP53
SCHEMBL2094590 0.77 SIGMAR1 (0.54) ALDH1A1
SCHEMBL2091356 0.77 HSD11B1 (0.47) EPHX2TP53EPHX1HSD11B1KDM2B
SCHEMBL21613782 0.76 EPHX2 (0.51) EPHX2ALDH1A1TSHRHTR2ATP53
SCHEMBL15591085 0.76 ALDH1A1 (0.68) EPHX2ALDH1A1TSHRCARM1PRMT6
SCHEMBL4630572 0.74 EPHX2 (0.38) EPHX2ALDH1A1HTR2AEPHX1HSD11B1

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 3472/4885ALDH1A1 412/4885TSHR 162/4885

“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.