SCHEMBL4196753

SCHEMBL4196753

CCN(C[C@@H](O)COc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
KCNH2 Q12809 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 3/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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 1.00 ALDH1A1 (0.58) ALDH1A1GAASMN1; SMN2MAPTPOLB
SCHEMBL4209774 0.81 L3MBTL1 (0.48) ALDH1A1SMN1; SMN2MAPTPOLBKCNH2
Hydrochloric Acid SCHEMBL4358403 0.78 KCNH2 (0.66) KCNH2MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL9651805 0.78 GAA (0.56) ALDH1A1GAASMN1; SMN2MAPTPOLB
SCHEMBL1861868 0.78 ALDH1A1 (0.82) ALDH1A1GAASMN1; SMN2MAPTPOLB
SCHEMBL9651801 0.77 KCNH2 (0.67) ALDH1A1GAAKCNH2MAPK1CYP1A2
SCHEMBL15060886 0.76 ALDH1A1 (0.70) ALDH1A1GAASMN1; SMN2MAPTPOLB
SCHEMBL15060972 0.76 ALDH1A1 (0.70) ALDH1A1GAASMN1; SMN2MAPTPOLB
SCHEMBL1496497 0.76 ALDH1A1 (0.70) ALDH1A1GAASMN1; SMN2MAPTPOLB
SCHEMBL5003301 0.75 KCNH2 (0.53) MAPTKCNH2KMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436258-A4 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS UNIV EMORY (US) 2005-03-23 EP claimed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 US claimed
EP-1436258-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS Emory University (US) 2004-07-14 EP claimed
WO-2002072542-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS EMORY UNIVERSITY (US) 2002-09-19 WO claimed
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 ALDH1A1 2194/4885GAA 511/4885SMN1; SMN2 312/4885
US-20040138502-A1 Ph-dependent nmda receptor antagonists GRIN1, GRIN2B, GRIN3A ALDH1A1 2602/4885GAA 200/4885SMN1; SMN2 564/4885

“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.