SCHEMBL5544580

SCHEMBL5544580

[CH2]CCCC(C)c1sc(C)nc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.40
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
ALOX5 P09917 1/20 0.36
ADAMTS5 Q9UNA0 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
XIAP P98170 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HTR7 P34969 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5547301 0.79 ALOX5 (0.46) NTRK1PTGS1PTGS2ALOX5ALDH1A1
SCHEMBL12661406 0.77 NTRK1 (0.49) NTRK1PTGS1PTGS2ALOX5ADAMTS5
SCHEMBL5546640 0.76 LMNA (0.31)
SCHEMBL5536003 0.76
SCHEMBL2092404 0.74 PTGDR2 (0.43) NTRK1PTGS1PTGS2ALOX5ALDH1A1
SCHEMBL5544025 0.73 HRH3 (0.42) ALOX5ALDH1A1MAPTKDM4E
SCHEMBL2093403 0.72 PTGDR2 (0.43) NTRK1PTGS1PTGS2ALOX5ALDH1A1
SCHEMBL2091991 0.71 PTGDR2 (0.42) NTRK1PTGS1PTGS2ALOX5ALDH1A1
SCHEMBL2090126 0.70 PTGDR2 (0.46) NTRK1PTGS1PTGS2ALOX5ALDH1A1
SCHEMBL15874083 0.70 CHRNB2 (0.46) NTRK1PTGS1PTGS2ALOX5ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NTRK1 777/4885PTGS1 3838/4885PTGS2 3418/4885

“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.