SCHEMBL5547840

SCHEMBL5547840

CCC=C(O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.43
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
GRN P28799 5/20 0.34
SORT1 Q99523 5/20 0.34
HCAR1 Q9BXC0 1/20 0.33
FABP4 P15090 1/20 0.33
CNR2 P34972 5/20 0.33
CNR1 P21554 3/20 0.33
PTGS1 P23219 1/20 0.33
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5542160 0.83 TPMT (0.40) TPMTRAB9ATSHRGRNSORT1
SCHEMBL2089770 0.78 PTGS1 (0.43) TSHRPTGS1ALDH1A1MAPT
SCHEMBL14457632 0.78 PTGS1 (0.43) TSHRPTGS1ALDH1A1MAPT
SCHEMBL2088492 0.77 TPMT (0.50) TPMTRAB9ATSHRGRNSORT1
SCHEMBL5540661 0.74 TSHR (0.48) TSHRALDH1A1
SCHEMBL94817 0.70 ATM (0.43) RAB9ATSHRALDH1A1MAPT
SCHEMBL16952615 0.70 TPMT (0.48) TPMTRAB9ATSHRGRNSORT1
SCHEMBL3680121 0.70 ATM (0.43) RAB9ATSHRALDH1A1MAPT
SCHEMBL12789001 0.69 TPMT (0.42) TPMTRAB9ACNR2ALDH1A1MAPT
SCHEMBL5536983 0.68 SMN1; SMN2 (0.50) TSHRGABRA1GABRB1ALDH1A1MAPT

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 TPMT 4192/4885RAB9A 2824/4885TSHR 319/4885

“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.