SCHEMBL2090840

SCHEMBL2090840

COc1ccc(CN(C)c2cs[c]n2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.45
APLNR P35414 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
SLC6A4 P31645 2/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 3/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
SLC6A2 P23975 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2097629 0.74 LMNA (0.38) DHFRAPLNRKMT2ASMN1; SMN2LMNA
SCHEMBL30876513 0.74 NOX1 (0.50) DHFRAPLNRPOLBALDH1A1MEN1
SCHEMBL18669428 0.73 APLNR (0.54) APLNRALDH1A1MEN1KMT2ATSHR
SCHEMBL7602457 0.72 SLC6A4 (0.65) DHFRAPLNRALDH1A1MEN1KMT2A
SCHEMBL31217335 0.72 DHFR (0.45) DHFRAPLNRPOLBALDH1A1MEN1
SCHEMBL12522848 0.71 APLNR (0.54) DHFRAPLNRPOLBALDH1A1MEN1
SCHEMBL29805345 0.71 DHFR (0.49) DHFRAPLNRALDH1A1MEN1KMT2A
SCHEMBL7338769 0.71 APLNR (0.58) DHFRAPLNRPOLBALDH1A1MEN1
SCHEMBL14868244 0.71 DHFR (0.57) DHFRAPLNRPOLBALDH1A1MEN1
SCHEMBL14904888 0.70 DHFR (0.46) DHFRAPLNRPOLBALDH1A1MEN1

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 7 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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 DHFR 25/4885APLNR 1652/4885POLB 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.