SCHEMBL4882765

SCHEMBL4882765

O=C(COC1COc2nc([N+](=O)[O-])cn2C1)NCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.73
KCNH2 Q12809 4/20 0.45
GAA P10253 1/20 0.43
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL4882751 1.00 CHRM1 (0.73) CHRM1KCNH2GAAPTGS1SLC6A2
SCHEMBL4884286 0.89 CHRM1 (0.71) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL4884274 0.89 CHRM1 (0.71) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL14004006 0.85 CHRM1 (1.00) CHRM1KCNH2GAAPTGS1SLC6A2
Pretomanid SCHEMBL2983011 0.85 CHRM1 (1.00) CHRM1KCNH2GAAPTGS1SLC6A2
SCHEMBL14003995 0.83 CHRM1 (0.62) CHRM1KCNH2HDAC3HDAC4HDAC1
SCHEMBL4888446 0.83 CHRM1 (0.62) CHRM1KCNH2HDAC3HDAC4HDAC1
SCHEMBL1160458 0.83 CHRM1 (0.94) CHRM1KCNH2GAAPTGS1SLC6A2
SCHEMBL508066 0.83 CHRM1 (0.94) CHRM1KCNH2GAAPTGS1SLC6A2
SCHEMBL507542 0.83 CHRM1 (0.94) CHRM1KCNH2GAAPTGS1SLC6A2

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 1884/4885GAA 247/4885

“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.