SCHEMBL2094875

SCHEMBL2094875

COC(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.68
ADORA3 P0DMS8 1/20 0.61
POLB P06746 2/20 0.60
FAAH O00519 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CNR1 P21554 2/20 0.55
ENPP2 Q13822 1/20 0.55
CYP2C19 P33261 1/20 0.54

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
SCHEMBL11653085 0.94 MGLL (0.58) MGLLADORA3POLBFAAHMEN1
SCHEMBL23360763 0.87 MGLL (0.51) MGLLADORA3POLBFAAHMEN1
SCHEMBL13680515 0.86 FAAH (0.66) MGLLFAAHMEN1KMT2ACNR1
SCHEMBL716889 0.85 MAPK1 (0.62) FAAHMEN1KMT2A
SCHEMBL2094873 0.84 MGLL (0.66) MGLLADORA3POLBFAAHMEN1
SCHEMBL13754832 0.83 CYP17A1 (0.64) MGLLADORA3POLBFAAHMEN1
SCHEMBL2092941 0.83 SMN1; SMN2 (0.68) MEN1KMT2A
SCHEMBL1569274 0.83 CYP1A2 (0.68) MGLLPOLBFAAHMEN1KMT2A
SCHEMBL282531 0.82 SMN1; SMN2 (0.71) KMT2A
SCHEMBL13524567 0.82 JAK2 (0.54) MGLLADORA3FAAHMEN1KMT2A

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 MGLL 4672/4885ADORA3 765/4885POLB 757/4885

“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.