SCHEMBL2093576

SCHEMBL2093576

Oc1ccc2nccc(N3CCC(Cc4ccccc4C(F)(F)F)CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
RBP4 P02753 2/20 0.39
TTR P02766 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
NCF1 P14598 4/20 0.39
F10 P00742 2/20 0.37
CHRM4 P08173 1/20 0.37
MGLL Q99685 2/20 0.37
ADRB2 P07550 2/20 0.36
CYP8B1 Q9UNU6 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL2093573 0.88 RBP4 (0.39) RBP4TTRCYP3A4HPGDNCF1
SCHEMBL27666220 0.82 NCF1 (0.39) RBP4TTRNCF1ADRB2TRPV1
SCHEMBL2091302 0.81 SCD (0.53) RBP4TTRCYP3A4CHRM4
SCHEMBL2094807 0.79 ENPP1 (0.40) ENPP1GRIN1GRIN2BNCF1CHRM4
SCHEMBL2094572 0.74 EPHX2 (0.35) RBP4TTRMGLL
SCHEMBL2090834 0.74 ADRB2 (0.49) NCF1MGLLADRB2CYP8B1
SCHEMBL27644867 0.72 ADRB2 (0.46) DRD2DRD3NCF1F10CHRM4
SCHEMBL27666016 0.71 ADRB2 (0.47) DRD2NCF1F10MGLLADRB2
SCHEMBL27665965 0.69 HTR1A (0.40) DRD2RBP4TTRNCF1
SCHEMBL2091297 0.69 SCD (0.53) RBP4TTRCYP3A4CHRM4

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 ENPP1 966/4885GRIN1 344/4885GRIN2B 269/4885

“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.