SCHEMBL4889456

SCHEMBL4889456

O=C(CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
IDE P14735 1/20 0.46
HPGD P15428 1/20 0.45
TRPV1 Q8NER1 2/20 0.42
LMNA P02545 5/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
ENPP2 Q13822 2/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.41

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 0.81 CHRM1 (0.51) CHRM1MEN1KMT2ALMNAMAPT
SCHEMBL4887392 0.81 CHRM1 (0.51) CHRM1MEN1KMT2ALMNAMAPT
SCHEMBL4888549 0.81 CHRM1 (0.67) CHRM1LMNAMAPTHTTALDH1A1
SCHEMBL3466012 0.77 CHRM1 (0.52) CHRM1MEN1KMT2ALMNAMAPT
SCHEMBL3466812 0.77 CHRM1 (0.50) CHRM1MEN1KMT2ALMNAMAPT
SCHEMBL3465898 0.77 CHRM1 (0.50) CHRM1MEN1KMT2ALMNAMAPT
SCHEMBL13198620 0.76 CHRM1 (0.79) CHRM1KDM4E
SCHEMBL14389214 0.76 CHRM1 (0.79) CHRM1KDM4E
SCHEMBL29765481 0.76 CHRM1 (0.79) CHRM1KDM4E
SCHEMBL507976 0.76 CHRM1 (0.67) CHRM1

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 3 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

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 1746/4885MEN1 2794/4885KMT2A 2302/4885

“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.