SCHEMBL5539166

SCHEMBL5539166

CCOc1cccc2c(C)scc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
PABPC1 P11940 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRK6 P43250 1/20 0.38
ADORA2B P29275 1/20 0.38
L3MBTL1 Q9Y468 5/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
TSHR P16473 2/20 0.36
PKM P14618 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
SCHEMBL5539160 0.82 CYP2A6 (0.41) CYP2A6ALDH1A1MEN1KMT2AMAPT
SCHEMBL5537373 0.79 CA2 (0.41) CYP2A6ALDH1A1MEN1KMT2AMAPT
SCHEMBL30503999 0.78 ALDH1A1 (0.54) CYP2A6ALDH1A1MEN1KMT2AMAPT
SCHEMBL3818341 0.78 ALDH1A1 (0.54) CYP2A6ALDH1A1MEN1KMT2AMAPT
SCHEMBL5542187 0.74 KDM4E (0.39) CYP2A6ALDH1A1MEN1KMT2AMAPT
SCHEMBL5534863 0.74 KDM4E (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5534907 0.74 SCN9A (0.41) ALDH1A1KDM4EHSD17B10
SCHEMBL7835591 0.73 CYP2A6 (0.54) CYP2A6ALDH1A1MEN1KMT2AMAPT
SCHEMBL5543695 0.71 CYP2A6 (0.37) CYP2A6ALDH1A1MEN1KMT2AMAPT
SCHEMBL45343 0.71 HTR1B (0.61) ALDH1A1KDM4ETDP1TSHR

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 355/4885MEN1 3295/4885

“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.