SCHEMBL5544199

SCHEMBL5544199

COc1ccc(CN2CCN(c3ccc(O)cc3)CC2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
MAPT P10636 4/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
DRD4 P21917 2/20 0.61
DRD2 P14416 1/20 0.61
DRD3 P35462 1/20 0.61
KDM4E B2RXH2 6/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.54
MAPK1 P28482 2/20 0.54
TP53 P04637 1/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
GFER P55789 1/20 0.53
NPC1 O15118 1/20 0.52

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
SCHEMBL11184360 0.86 USP2 (0.64) ALDH1A1MAPTSMN1; SMN2NPSR1DRD4
SCHEMBL5544192 0.86 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2NPSR1DRD4
Hydrochloric Acid SCHEMBL11180895 0.85 USP2 (0.62) ALDH1A1MAPTSMN1; SMN2NPSR1DRD4
SCHEMBL1600111 0.84 KMT2A (0.65) ALDH1A1KDM4EALOX15TSHRKMT2A
SCHEMBL5542069 0.82 DRD4 (0.66) ALDH1A1MAPTSMN1; SMN2DRD4DRD2
SCHEMBL4708954 0.82 HTR7 (0.57) ALDH1A1MAPTSMN1; SMN2NPSR1DRD4
SCHEMBL14160136 0.82 DRD2 (0.56) ALDH1A1MAPTSMN1; SMN2NPSR1DRD4
SCHEMBL4708916 0.82 DRD2 (0.61) ALDH1A1MAPTSMN1; SMN2NPSR1DRD4
SCHEMBL28802676 0.80 SIGMAR1 (0.66) ALDH1A1MAPTSMN1; SMN2DRD4DRD2
SCHEMBL5536329 0.79 DRD4 (0.61) ALDH1A1MAPTDRD4DRD2DRD3

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-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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 ALDH1A1 355/4885MAPT 4117/4885SMN1; SMN2 3985/4885

“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.