SCHEMBL2091189

SCHEMBL2091189

[CH2]OC(=O)Nc1ccc(OC)c(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2C9 P11712 1/20 0.59
KMT2A Q03164 6/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TP53 P04637 2/20 0.56
MEN1 O00255 2/20 0.56
IMPDH2 P12268 1/20 0.56
IMPDH1 P20839 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 3/20 0.53
GAA P10253 2/20 0.52
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL2091191 0.87 SMN1; SMN2 (0.67) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL7945946 0.82 CYP1A2 (0.63) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL8345734 0.82 KMT2A (0.78) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL2089842 0.81 ALDH1A1 (0.51) SMN1; SMN2CYP2C19CYP2C9KMT2AMAPT
SCHEMBL30492996 0.80 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL1030576 0.80 CYP1A2 (0.65) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL7760777 0.80 CYP1A2 (0.65) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL1851780 0.80 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL2089273 0.80 CYP1A2 (0.65) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL10817064 0.80 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A

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 SMN1; SMN2 3787/4885CYP1A2 420/4885CYP2C19 1894/4885

“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.