SCHEMBL5536749

SCHEMBL5536749

Cc1cc(O)c2cccnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HTT P42858 3/20 0.46
SLC6A2 P23975 1/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
COMT P21964 2/20 0.42
ERN1 O75460 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
NPC1 O15118 3/20 0.41
HSP90AA1 P07900 3/20 0.41
NR4A2 P43354 1/20 0.41
IL1B P01584 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
AGTR1 P30556 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
SCHEMBL3969039 0.80 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL23884462 0.80 MEN1 (0.52) ALDH1A1HTTSLC6A2MAPTKDM4E
SCHEMBL3972694 0.79 ALDH1A1 (0.47) ALDH1A1HTTMAPTKDM4ECOMT
SCHEMBL29327543 0.79 ALDH1A1 (0.47) ALDH1A1HTTSLC6A2MAPTKDM4E
SCHEMBL24713304 0.78 FTO (0.46) ALDH1A1HTTMAPTKDM4ECOMT
SCHEMBL18572648 0.77 NR4A2 (0.62) ALDH1A1HTTSLC6A2MAPTKDM4E
SCHEMBL14659006 0.77 HTT (0.48) ALDH1A1HTTSLC6A2MAPTKDM4E
SCHEMBL30613588 0.77 HTT (0.48) ALDH1A1HTTSLC6A2MAPTKDM4E
SCHEMBL18318260 0.77 ALDH1A1 (0.48) ALDH1A1HTTMAPTKDM4ECOMT
SCHEMBL17839007 0.77 NR4A2 (0.49) ALDH1A1HTTSLC6A2MAPTKDM4E

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
CN-117986220-A Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2024-05-07 CN disclosed
CN-114222734-B Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2023-12-08 CN disclosed
CN-114222734-A Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2022-03-22 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

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 355/4885HTT 4644/4885SLC6A2 3396/4885

“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.