SCHEMBL4778739

SCHEMBL4778739

O=C(O)c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.69
PLA2G4B P0C869 1/20 0.36
BCHE P06276 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNH2 Q12809 2/20 0.32
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32
BDKRB2 P30411 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
DCTPP1 Q9H773 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4840823 1.00 CHRM1 (0.69) CHRM1PLA2G4BBCHESMN1; SMN2RXRA
SCHEMBL14004011 0.88 CHRM1 (0.73) CHRM1BCHEKCNH2KMT2AMEN1
SCHEMBL29808816 0.88 CHRM1 (0.73) CHRM1BCHEKCNH2KMT2AMEN1
SCHEMBL508705 0.86 CHRM1 (0.73) CHRM1KCNH2
SCHEMBL509156 0.86 CHRM1 (0.73) CHRM1SMN1; SMN2KCNH2KMT2AMEN1
SCHEMBL3194998 0.86 CHRM1 (0.73) CHRM1SMN1; SMN2KCNH2KMT2AMEN1
SCHEMBL3187077 0.86 CHRM1 (0.73) CHRM1KCNH2
SCHEMBL3187069 0.86 CHRM1 (0.73) CHRM1KCNH2
SCHEMBL3465663 0.86 CHRM1 (0.70) CHRM1PLA2G4BSMN1; SMN2KCNH2KMT2A
SCHEMBL30937428 0.85 CHRM1 (0.74) CHRM1KCNH2KMT2AMEN1MAPT

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
US-20080275035-A1 Nitroimidazole Compounds JIRICEK JAN 2008-11-06 US disclosed
US-20080275035-A1 Nitroimidazole Compounds JIRICEK JAN 2008-11-06 US disclosed
US-20080275035-A1 Nitroimidazole Compounds JIRICEK JAN 2008-11-06 US disclosed
EP-1984369-A2 NITROIMIDAZOLE COMPOUNDS Novartis AG (CH) 2008-10-29 EP disclosed
WO-2007075872-A2 NITROIMIDAZOLE COMPOUNDS NOVARTIS AG (CH) 2007-07-05 WO 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-20080275035-A1 Nitroimidazole Compounds NQO2, NQO1, MT-ND2 CHRM1 1746/4885PLA2G4B 3982/4885BCHE 3274/4885

“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.