SCHEMBL2097563

SCHEMBL2097563

CN(C([O])=O)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.47
POLB P06746 1/20 0.46
FSCN1 Q16658 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CA P42336 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PIK3CB P42338 1/20 0.39
LIPE Q05469 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38

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
SCHEMBL12550521 0.85 POLB (0.52) GPBAR1POLBFSCN1ALDH1A1GAA
SCHEMBL2093311 0.84 TSHR (0.42) POLBFSCN1ALDH1A1TSHR
SCHEMBL6393802 0.83 FSCN1 (0.61) GPBAR1POLBFSCN1ALDH1A1GAA
SCHEMBL1820107 0.83 POLB (0.50) GPBAR1POLBFSCN1ALDH1A1GAA
SCHEMBL30936965 0.83 GPBAR1 (0.47) GPBAR1POLBFSCN1ALDH1A1GAA
SCHEMBL2089199 0.82 MAPT (0.41) GPBAR1POLBALDH1A1MAPTTSHR
SCHEMBL7831273 0.82 GPBAR1 (0.46) GPBAR1POLBFSCN1ALDH1A1GAA
SCHEMBL10945996 0.82 GPBAR1 (0.46) GPBAR1POLBFSCN1ALDH1A1GAA
SCHEMBL1624396 0.80 GPBAR1 (0.44) GPBAR1POLBFSCN1ALDH1A1GAA
SCHEMBL23723541 0.79 ALDH1A1 (0.44) GPBAR1POLBFSCN1ALDH1A1TP53

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 GPBAR1 833/4885POLB 757/4885FSCN1 4487/4885

“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.