SCHEMBL4884286

SCHEMBL4884286

O=C(COC1COc2nc([N+](=O)[O-])cn2C1)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.71
KCNH2 Q12809 4/20 0.47
MCHR1 Q99705 3/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
CASP3 P42574 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL4884274 1.00 CHRM1 (0.71) CHRM1KCNH2MCHR1PTGS1SLC6A2
SCHEMBL4882751 0.89 CHRM1 (0.73) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL4882765 0.89 CHRM1 (0.73) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL4888446 0.86 CHRM1 (0.62) CHRM1KCNH2MEN1KMT2AMAPT
SCHEMBL14003995 0.86 CHRM1 (0.62) CHRM1KCNH2MEN1KMT2AMAPT
SCHEMBL4886961 0.86 CHRM1 (0.62) CHRM1KCNH2ALDH1A1MEN1KMT2A
SCHEMBL4886972 0.86 CHRM1 (0.62) CHRM1KCNH2ALDH1A1MEN1KMT2A
Pretomanid SCHEMBL14004006 0.83 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL2983011 0.83 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL13358956 0.83 CHRM1 (0.79) CHRM1KCNH2MCHR1PTGS1SLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275035-A1 Nitroimidazole Compounds JIRICEK JAN 2008-11-06 US 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 1746/4885KCNH2 1884/4885MCHR1 4753/4885

“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.