SCHEMBL2095889

SCHEMBL2095889

COCCCc1ccc2occcc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
ALDH1A1 P00352 5/20 0.36
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
GAA P10253 3/20 0.33
CASP1 P29466 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA1 P30542 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL2091925 0.81
SCHEMBL27645167 0.79 USP2 (0.31) ALDH1A1HPGDTDP1
SCHEMBL27666221 0.79 KDM4E (0.37) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL27645170 0.79 OPRM1 (0.32) OPRM1OPRD1
SCHEMBL27666122 0.78 ALDH1A1 (0.33) ALDH1A1HPGDTDP1ALOX15
SCHEMBL2096586 0.78 MAPT (0.34) OPRM1OPRD1ALDH1A1ADORA2AADORA2B
SCHEMBL2096513 0.77 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL2094790 0.75 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL452969 0.74 USP2 (0.32) ALDH1A1HPGDTDP1
SCHEMBL5546711 0.73 SLC9A1 (0.40) OPRM1OPRD1ALDH1A1MAPTKDM4E

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 3 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

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 OPRM1 950/4885OPRD1 268/4885ALDH1A1 412/4885

“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.