SCHEMBL2090908

SCHEMBL2090908

C[CH]OC(=O)N(c1ccccc1)c1cccc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.50
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
CHRM4 P08173 2/20 0.35
CHRM3 P20309 2/20 0.35
KDM4E B2RXH2 1/20 0.34
CES2 O00748 1/20 0.34
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
TRPM8 Q7Z2W7 3/20 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
SCHEMBL2094643 0.81 ATM (0.41) TDP1ATML3MBTL1NPSR1CHRM4
SCHEMBL2090910 0.80 PTGIR (0.59) PTGIRTDP1ATML3MBTL1NPSR1
SCHEMBL5058365 0.80 PTGIR (0.50) PTGIRTDP1ATML3MBTL1NPSR1
SCHEMBL2093031 0.80 PTGIR (0.51) PTGIRTDP1ATML3MBTL1NPSR1
SCHEMBL2090172 0.79 L3MBTL1 (0.40) PTGIRTDP1ATML3MBTL1NPSR1
SCHEMBL2093029 0.79 PTGIR (0.50) PTGIRTDP1ATML3MBTL1NPSR1
SCHEMBL1118601 0.77 PTGIR (0.49) PTGIRTDP1ATML3MBTL1NPSR1
SCHEMBL2090255 0.72 ATM (0.42) PTGIRTDP1ATML3MBTL1NPSR1
SCHEMBL2098123 0.72 ESR1 (0.43) PTGIRTDP1ATML3MBTL1NPSR1
SCHEMBL2090596 0.72 PTGIR (0.49) PTGIRTDP1ATML3MBTL1NPSR1

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 PTGIR 1605/4885TDP1 4548/4885ATM 4071/4885

“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.