SCHEMBL4479620

SCHEMBL4479620

O=C(NC[C@H]1C2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FKBP1A P62942 1/20 0.42
POLB P06746 1/20 0.41
ACHE P22303 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
SCHEMBL4490304 0.91 CHRM2 (0.41) KMT2AEPHX2ALDH1A1HTT
SCHEMBL4470397 0.91 CHRM2 (0.41) KMT2AEPHX2ALDH1A1HTT
SCHEMBL4480185 0.88 KEAP1 (0.45)
SCHEMBL4479079 0.83 HSD11B1 (0.45) EPHX2
SCHEMBL4475886 0.83 CACNA1B (0.46) EPHX2
SCHEMBL4471928 0.79 CHRM2 (0.41) ALDH1A1
SCHEMBL4475526 0.79 KEAP1 (0.46)
SCHEMBL4483661 0.79 KEAP1 (0.46)
SCHEMBL4485202 0.77 ALDH1A1 (0.43) ALDH1A1
SCHEMBL4564939 0.76 EPHX2 (0.42) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-07-09 US claimed
EP-1796667-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP claimed
WO-2006035282-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO claimed
US-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-07-09 US disclosed
EP-1796667-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP disclosed
WO-2006035282-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 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-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 MEN1 1576/4885KMT2A 2852/4885EPHX2 1003/4885

“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.