SCHEMBL4196759

SCHEMBL4196759

CC(NCC(O)COc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9655113 0.83 KMT2A (0.68) KMT2AMEN1MAPTPOLBGAA
SCHEMBL4209781 0.81 L3MBTL1 (0.51) KMT2AMEN1MAPTALDH1A1ADRB2
SCHEMBL31257119 0.80 ADRB2 (0.68) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL9651805 0.80 GAA (0.56) KMT2AMEN1MAPTPOLBGAA
Hydrochloric Acid SCHEMBL4358412 0.79 KCNH2 (0.63) KMT2AMEN1MAPK1CYP2D6CYP2C9
SCHEMBL4204100 0.77 KCNH2 (0.66) ADRB2ADRB1ADRB3SLC6A2SLC6A3
SCHEMBL4196756 0.77 KCNH2 (0.66) ADRB2ADRB1ADRB3SLC6A2SLC6A3
SCHEMBL4202125 0.77 KCNH2 (0.66) ADRB2ADRB1ADRB3SLC6A2SLC6A3
SCHEMBL5022877 0.73 KCNH2 (0.52) KMT2AMEN1MAPK1ADRB2ADRB1
SCHEMBL7270186 0.73 ALDH1A1 (0.68) KMT2AMEN1MAPTPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 US 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
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 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 (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 KMT2A 259/4885MEN1 1097/4885MAPT 298/4885
US-20040138502-A1 Ph-dependent nmda receptor antagonists GRIN1, GRIN2B, GRIN3A KMT2A 338/4885MEN1 2158/4885MAPT 132/4885

“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.