SCHEMBL5539563

SCHEMBL5539563

[CH2]Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
GRM2 Q14416 1/20 0.43
MAPT P10636 1/20 0.43
EPHX2 P34913 1/20 0.43
SERPINE1 P05121 1/20 0.42
PPARA Q07869 1/20 0.42
SCN5A Q14524 5/20 0.41
AURKA O14965 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
SLC6A4 P31645 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
PRMT6 Q96LA8 1/20 0.40
PTGER4 P35408 1/20 0.40

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
SCHEMBL1047224 0.94 ALDH1A1 (0.47) ALDH1A1TSHRMAPTEPHX2SLC6A4
SCHEMBL6002645 0.88 EPHX2 (0.44) ALDH1A1TSHRMAPTEPHX2SLC6A4
SCHEMBL5545112 0.85 DAO (0.44) KIF11ALDH1A1TSHRGRM2EPHX2
SCHEMBL22621116 0.83 SLC6A4 (0.51) KIF11ALDH1A1TSHRGRM2SERPINE1
SCHEMBL5542056 0.82 DAO (0.42) KIF11ALDH1A1TSHRGRM2EPHX2
SCHEMBL9425434 0.82 TSHR (0.53) KIF11ALDH1A1TSHRGRM2SERPINE1
SCHEMBL2056279 0.82 TSHR (0.53) KIF11ALDH1A1TSHRGRM2SERPINE1
SCHEMBL2088727 0.81 KIF11 (0.49) KIF11MAPTEPHX2SCN5AAURKA
SCHEMBL5546240 0.80 DAO (0.41) KIF11ALDH1A1TSHRGRM2EPHX2
SCHEMBL2092332 0.80 KIF11 (0.45) KIF11ALDH1A1TSHRGRM2EPHX2

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
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
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
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
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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KIF11 3946/4885ALDH1A1 355/4885TSHR 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.