SCHEMBL5543415

SCHEMBL5543415

CCN1C(=O)C(C)(C)c2cc(C)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TP53 P04637 2/20 0.46
ALDH1A1 P00352 3/20 0.45
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 2/20 0.39
GPR55 Q9Y2T6 2/20 0.39
CHEK1 O14757 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL5544420 0.87 TP53 (0.44) CYP2C9CYP2C19TP53ALDH1A1KMT2A
SCHEMBL5542093 0.84 MAPT (0.49) TP53ALDH1A1KMT2AMAPTMEN1
SCHEMBL5546481 0.83 MAPT (0.46) TP53ALDH1A1KMT2AMAPTMEN1
SCHEMBL16315802 0.83 TP53 (0.43) CYP2C9CYP2C19TP53ALDH1A1KMT2A
SCHEMBL7836213 0.83 TP53 (0.46) CYP2C9CYP2C19TP53ALDH1A1KMT2A
SCHEMBL5548196 0.82 MAPT (0.45) TP53ALDH1A1KMT2AMAPTMEN1
SCHEMBL5543409 0.82 AURKA (0.40) CYP2C9CYP2C19TP53ALDH1A1AURKA
SCHEMBL1368159 0.82 ATAD2 (0.48) CYP2C9CYP2C19ALDH1A1AURKAAURKB
SCHEMBL16315828 0.81 POLB (0.63) TP53ALDH1A1KMT2AMAPTMEN1
SCHEMBL9202873 0.81 GPR55 (0.56) CYP2C19TP53ALDH1A1KMT2AMAPT

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 CYP2C9 2351/4885CYP2C19 2521/4885TP53 4494/4885

“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.