SCHEMBL2095223

SCHEMBL2095223

[CH2]CCOC(=O)N(C)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
LIPE Q05469 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HSD17B1 P14061 7/20 0.38
HSD17B2 P37059 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2096415 0.80 POLQ (0.41) CHRNB2CHRNB4CHRNA3CHRNA4LIPE
SCHEMBL18526138 0.78 ALDH1A1 (0.50) ALDH1A1LMNASIGMAR1HSD17B1HSD17B2
SCHEMBL7826537 0.75 TRPM8 (0.45) ALDH1A1LMNAKDM4ESIGMAR1HSD17B1
SCHEMBL2098663 0.75 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4LIPE
SCHEMBL12117478 0.72 LIPE (0.43) LIPEALDH1A1SIGMAR1HSD17B1HSD17B2
SCHEMBL7815992 0.72 SIGMAR1 (0.47) ALDH1A1LMNASIGMAR1HSD17B1HSD17B2
SCHEMBL12550525 0.72 ALDH1A1 (0.53) ALDH1A1LMNASIGMAR1HSD17B1HSD17B2
SCHEMBL7191106 0.70 CA12 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL2908713 0.70 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL29674730 0.70 TSPO (0.53) ALDH1A1LMNASIGMAR1HSD17B1HSD17B2

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 7 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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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.