SCHEMBL2092019

SCHEMBL2092019

[CH2]CCOC(=O)N(C)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
CHRNA4 P43681 3/20 0.47
LMNA P02545 2/20 0.44
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
NR1H3 Q13133 1/20 0.42
TSHR P16473 1/20 0.42
POLQ O75417 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGIR P43119 1/20 0.35
PTGDR Q13258 1/20 0.35
POLB P06746 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL2093088 0.84 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL2092920 0.77 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL2095249 0.75 LMNA (0.52) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL2088790 0.74 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL2097824 0.73 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL2093027 0.73 GRM5 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL5318411 0.71 MAPT (0.43) GAASMN1; SMN2POLQKDM4EMAPT
SCHEMBL12550514 0.70 GAA (0.49) GAASMN1; SMN2POLQKDM4EMAPT
SCHEMBL3026131 0.70 KMT2A (0.49) LMNASMN1; SMN2MAPK1TSHRKDM4E
SCHEMBL14540980 0.70 LMNA (0.50) CHRNB2CHRNB4CHRNA3CHRNA4LMNA

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 CHRNB2 1347/4885CHRNB4 2784/4885CHRNA3 1232/4885

“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.