SCHEMBL5538829

SCHEMBL5538829

CCOc1cccc2sc[c]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 6/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.38
HCRTR1 O43613 2/20 0.38
ALOX15 P16050 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL5539565 0.73 GABRA1 (0.39) ALDH1A1MAPTMEN1KMT2A
SCHEMBL5538833 0.72 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1TDP1KDM4E
1,2-Diethoxybenzene SCHEMBL578986 0.70 ALDH1A1 (0.68) ALDH1A1MAPTTDP1KDM4EL3MBTL1
1,2-Diethoxybenzene SCHEMBL29428929 0.70 ALDH1A1 (0.68) ALDH1A1MAPTTDP1KDM4EL3MBTL1
SCHEMBL2256393 0.68 ALDH1A1 (0.46) ALDH1A1MAPTTDP1L3MBTL1NPSR1
SCHEMBL827357 0.68 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1TDP1KDM4E
SCHEMBL927638 0.67 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1TDP1KDM4E
SCHEMBL7929775 0.66 ALDH1A1 (0.52) ALDH1A1MAPTTDP1KDM4EMEN1
SCHEMBL728707 0.66 CES1 (0.33)
SCHEMBL5538824 0.66 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1TDP1KDM4E

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 5 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

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 4117/4885MAPK1 1392/4885

“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.