SCHEMBL2089900

SCHEMBL2089900

Fc1ccc([CH]c2ccccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.47
MAPT P10636 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
RELA Q04206 1/20 0.41
TSHR P16473 3/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 1/20 0.40
CHAT P28329 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2R P25116 1/20 0.38
TRPA1 O75762 1/20 0.37
LMNA P02545 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
SCHEMBL11574198 0.83 ALDH1A1 (0.48) NFE2L2MAPTALDH1A1CYP1A1CYP1A2
SCHEMBL2204268 0.82 ALDH1A1 (0.52) NFE2L2MAPTNPC1RAB9AALDH1A1
SCHEMBL2705368 0.79 ALDH1A1 (0.45) NFE2L2MAPTNPC1RAB9AALDH1A1
SCHEMBL13516946 0.78 NFE2L2 (0.67) NFE2L2MAPTALDH1A1RELATSHR
SCHEMBL3301954 0.77 ALDH1A1 (0.62) NFE2L2ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL9592335 0.76 TDP1 (0.48) NFE2L2MAPTNPC1RAB9AALDH1A1
SCHEMBL28876217 0.75 NFE2L2 (0.47) NFE2L2MAPTALDH1A1TSHRALOX15
SCHEMBL576415 0.72 NFE2L2 (0.71) NFE2L2MAPTNPC1RAB9AALDH1A1
SCHEMBL11406154 0.72 MAPT (0.56) NFE2L2MAPTNPC1RAB9AALDH1A1
SCHEMBL7011173 0.72 NFE2L2 (0.41) NFE2L2MAPTNPC1RAB9AALDH1A1

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 NFE2L2 418/4885MAPT 4299/4885NPC1 3130/4885

“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.