SCHEMBL2095528

SCHEMBL2095528

CN(C([O])=O)c1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.43
CES1 P23141 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
POLB P06746 1/20 0.39
BCHE P06276 1/20 0.39
ALB P02768 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
STS P08842 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RIPK1 Q13546 2/20 0.35
ALOX15 P16050 1/20 0.34
TTR P02766 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL2095529 0.83 CES2 (0.43) CES2CES1TDP1HSD17B1HSD17B2
SCHEMBL2094092 0.78 ERN1 (0.41) CES2CES1KMT2AALDH1A1RIPK1
SCHEMBL2091484 0.78 CES2 (0.44) CES2CES1TDP1HSD17B1HSD17B2
SCHEMBL2091486 0.77 DDB1 (0.47) CES2CES1TDP1HSD17B1HSD17B2
SCHEMBL2096463 0.76 HSD17B1 (0.53) CES2CES1TDP1HSD17B1HSD17B2
SCHEMBL2090466 0.74 POLB (0.47) CES2CES1POLBMEN1KMT2A
SCHEMBL2095839 0.72 SCN9A (0.41) CES2CES1TDP1HSD17B1HSD17B2
SCHEMBL11435734 0.71 TDP1 (0.35) CES2CES1TDP1HSD17B1HSD17B2
SCHEMBL23042975 0.71 ALDH1A1 (0.40) CES2CES1TDP1HSD17B1HSD17B2
SCHEMBL7697624 0.71 KCNH2 (0.42) CES2CES1TDP1POLBGAA

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 CES2 2243/4885CES1 2325/4885TDP1 4548/4885

“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.