SCHEMBL4209774

SCHEMBL4209774

CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 6/20 0.45
POLB P06746 1/20 0.45
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
RECQL P46063 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL4204097 0.81 ALDH1A1 (0.58) KMT2AALDH1A1POLBHTTMAPT
SCHEMBL4196753 0.81 ALDH1A1 (0.58) KMT2AALDH1A1POLBHTTMAPT
SCHEMBL4209771 0.78 KCNH2 (0.47) MAPK1CYP3A4CYP2D6KCNH2
SCHEMBL4209781 0.73 L3MBTL1 (0.51) L3MBTL1KMT2AALDH1A1HTTMAPT
SCHEMBL4209776 0.71 MEN1 (0.54) KMT2AMEN1SLC6A2SLC6A3KCNH2
SCHEMBL13948488 0.71 MEN1 (0.54) KMT2AMEN1SLC6A2SLC6A3KCNH2
SCHEMBL5022867 0.71 KCNH2 (0.54) MAPK1CYP3A4CYP2D6KCNH2
SCHEMBL6859005 0.71 L3MBTL1 (0.68) L3MBTL1KMT2AALDH1A1POLBHTT
SCHEMBL29742389 0.71 L3MBTL1 (0.68) L3MBTL1KMT2AALDH1A1POLBHTT
SCHEMBL5003301 0.70 KCNH2 (0.53) KMT2AMAPTMEN1MAPK1CYP3A4

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-20090023791-A1 PH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2009-01-22 US disclosed
US-7375136-B2 pH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2008-05-20 US disclosed
EP-1436258-A4 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS UNIV EMORY (US) 2005-03-23 EP disclosed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 US disclosed
EP-1436258-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS Emory University (US) 2004-07-14 EP disclosed
WO-2002072542-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS EMORY UNIVERSITY (US) 2002-09-19 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 (2 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-20090023791-A1 PH-dependent NMDA receptor antagonists GRIN1, GRIA4, GRIA1 L3MBTL1 955/4885KMT2A 259/4885ALDH1A1 2194/4885
US-20040138502-A1 Ph-dependent nmda receptor antagonists GRIN1, GRIN2B, GRIN3A L3MBTL1 527/4885KMT2A 338/4885ALDH1A1 2602/4885

“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.