SCHEMBL5544514

SCHEMBL5544514

C[C](C)Cc1cc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
AGXT P21549 1/20 0.53
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
KDM4E B2RXH2 3/20 0.46
CYP1A2 P05177 2/20 0.46
MAOB P27338 2/20 0.46
CA12 O43570 1/20 0.46
NT5E P21589 1/20 0.46
CA9 Q16790 1/20 0.46
HTR1A P08908 1/20 0.45
HTR2B P41595 1/20 0.45
HSD17B10 Q99714 2/20 0.44
FLT3 P36888 1/20 0.44
MGLL Q99685 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 1/20 0.44
HPGD P15428 2/20 0.43
GLS O94925 1/20 0.43
TYR P14679 1/20 0.43

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
SCHEMBL8036021 0.85 ESR1 (0.56) LOXL2AGXTESR1ESR2KDM4E
SCHEMBL8039758 0.82 LOXL2 (0.51) LOXL2AGXTESR1ESR2KDM4E
SCHEMBL9233691 0.82 LOXL2 (0.56) LOXL2AGXTESR1ESR2HTR1A
SCHEMBL4659383 0.81 LOXL2 (0.50) LOXL2AGXTESR1ESR2KDM4E
SCHEMBL4661924 0.81 LOXL2 (0.50) LOXL2AGXTESR1ESR2KDM4E
SCHEMBL7171559 0.81 ESR1 (0.59) LOXL2AGXTESR1ESR2KDM4E
SCHEMBL1650806 0.79 ESR1 (0.57) LOXL2AGXTESR1ESR2MAOB
SCHEMBL11101351 0.79 ESR1 (0.54) LOXL2AGXTESR1ESR2KDM4E
SCHEMBL6013090 0.78 LOXL2 (0.60) LOXL2AGXTMAOBHTR1AHTR2B
SCHEMBL10367978 0.78 LOXL2 (0.55) LOXL2AGXTESR1ESR2KDM4E

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 8 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
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
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 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 LOXL2 3768/4885AGXT 2967/4885ESR1 1578/4885

“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.