SCHEMBL5542072

SCHEMBL5542072

CCOc1cccc2[c]scc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 7/20 0.35
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GLA P06280 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
PABPC1 P11940 1/20 0.34
GRK6 P43250 1/20 0.34
MAPK1 P28482 2/20 0.34
PKM P14618 1/20 0.34
GRM5 P41594 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4474930 0.80 CA2 (0.39) CYP2A6ALDH1A1MAPTKDM4EMEN1
SCHEMBL2885292 0.78 KDM4E (0.38) ALDH1A1L3MBTL1MAPTKDM4EMAPK1
SCHEMBL30503999 0.72 ALDH1A1 (0.54) CYP2A6ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL3818341 0.72 ALDH1A1 (0.54) CYP2A6ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL5542697 0.72 MPL (0.36) L3MBTL1MAPTKDM4E
SCHEMBL5546649 0.72 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL5537433 0.70 CYP2A6 (0.45) CYP2A6ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL2232272 0.70 CYP2A6 (0.41) CYP2A6ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL2257840 0.67 ALDH1A1 (0.41) CYP2A6ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL5539160 0.67 CYP2A6 (0.41) CYP2A6ALDH1A1L3MBTL1MAPTNPSR1

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 CYP2A6 1119/4885ALDH1A1 355/4885L3MBTL1 1931/4885

“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.