SCHEMBL5547339

SCHEMBL5547339

CN(C=O)Cc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.53
TAAR1 Q96RJ0 4/20 0.51
RIPK1 Q13546 1/20 0.50
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49
AOC3 Q16853 2/20 0.49
CHRM2 P08172 2/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
PNMT P11086 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.43
ACHE P22303 2/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL30798978 0.79 TAAR1 (0.66) PYCR1TAAR1RIPK1TSHRRECQL
SCHEMBL8290710 0.79 TAAR1 (0.66) PYCR1TAAR1RIPK1TSHRRECQL
SCHEMBL6233069 0.79 PNMT (0.50) PYCR1TAAR1RIPK1TSHRRECQL
SCHEMBL5542202 0.79 PYCR1 (0.53) PYCR1TAAR1RIPK1
SCHEMBL5544255 0.79 TAAR1 (0.51) TAAR1RIPK1CHRM2CHRM3
SCHEMBL5542363 0.77 TAS2R14 (0.48) PYCR1TAAR1RIPK1TSHRRECQL
SCHEMBL5534484 0.77 ALDH1A1 (0.50) PYCR1TSHRAOC3KDM4E
SCHEMBL967209 0.77 TSHR (0.56) PYCR1TAAR1TSHRAOC3KDM4E
SCHEMBL11746708 0.76 AOC3 (0.68) PYCR1TAAR1RIPK1TSHRRECQL
SCHEMBL30093221 0.76 PYCR1 (0.67) PYCR1TAAR1RIPK1TSHRRECQL

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 6 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
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
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 PYCR1 783/4885TAAR1 364/4885RIPK1 1770/4885

“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.