SCHEMBL4887392

SCHEMBL4887392

O=C(COC1COc2nc([N+](=O)[O-])cn2C1)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.51
ENPP2 Q13822 4/20 0.50
ALDH1A1 P00352 5/20 0.47
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 6/20 0.45
HTT P42858 2/20 0.44
GRM5 P41594 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL4887369 1.00 CHRM1 (0.51) CHRM1ENPP2ALDH1A1POLBMEN1
SCHEMBL4888549 0.89 CHRM1 (0.67) CHRM1ENPP2ALDH1A1MAPTHTT
SCHEMBL3466012 0.82 CHRM1 (0.52) CHRM1ALDH1A1MEN1KMT2AMAPT
SCHEMBL4889456 0.81 CHRM1 (0.50) CHRM1ENPP2ALDH1A1POLBMEN1
SCHEMBL3466812 0.80 CHRM1 (0.50) CHRM1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3465898 0.80 CHRM1 (0.50) CHRM1ALDH1A1MEN1KMT2AMAPT
SCHEMBL13648936 0.80 F10 (0.45) CHRM1LMNA
SCHEMBL3202706 0.78 CHRM1 (0.58) CHRM1ALDH1A1POLBMEN1KMT2A
SCHEMBL3202010 0.78 CHRM1 (0.58) CHRM1ALDH1A1POLBMEN1KMT2A
SCHEMBL3202397 0.78 MAOB (0.55) LMNA

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 1746/4885ENPP2 1233/4885ALDH1A1 927/4885

“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.