SCHEMBL5544565

SCHEMBL5544565

[CH2]Cc1coc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.54
DRD4 P21917 3/20 0.54
DRD3 P35462 3/20 0.54
ALDH1A1 P00352 2/20 0.46
FFAR1 O14842 1/20 0.45
LMNA P02545 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
ENPP3 O14638 2/20 0.41
ENPP1 P22413 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR2A P28223 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
SCHEMBL5541970 0.85 DRD2 (0.55) DRD2DRD4DRD3ALDH1A1FFAR1
SCHEMBL5543626 0.82 DRD2 (0.49) DRD2DRD4DRD3ALDH1A1FFAR1
SCHEMBL6426163 0.81 NPC1 (0.50) DRD2DRD4DRD3ALDH1A1LMNA
SCHEMBL5536850 0.81 DRD2 (0.48) DRD2DRD4DRD3ALDH1A1FFAR1
SCHEMBL6593764 0.81 DRD2 (0.54) DRD2DRD4DRD3ALDH1A1FFAR1
SCHEMBL4034904 0.81 DRD2 (0.54) DRD2DRD4DRD3ALDH1A1FFAR1
SCHEMBL12432902 0.81 DRD2 (0.54) DRD2DRD4DRD3ALDH1A1FFAR1
SCHEMBL4826786 0.81 DRD2 (0.54) DRD2DRD4DRD3ALDH1A1FFAR1
SCHEMBL202789 0.81 DRD2 (0.54) DRD2DRD4DRD3ALDH1A1FFAR1
SCHEMBL3126496 0.81 DRD2 (0.54) DRD2DRD4DRD3ALDH1A1FFAR1

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
CN-105899505-B Pyrazoles for the treatment of autoimmune disorders 武田药品工业株式会社 2018-08-28 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
CN-1003445-B thiazolidinedione derivatives, their preparation and use 武田药品工业株式会社 1989-03-01 CN 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 DRD2 542/4885DRD4 368/4885DRD3 132/4885

“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.