SCHEMBL2117439

SCHEMBL2117439

CCOC(=O)n1cc(C(N)=O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.47
CREBBP Q92793 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
THRB P10828 1/20 0.45
CNR1 P21554 1/20 0.44
NR4A2 P43354 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2457012 0.87 KMT2A (0.64) KMT2AMEN1L3MBTL1LMNASMN1; SMN2
SCHEMBL16795100 0.82 ALDH1A1 (0.51) KMT2AMEN1L3MBTL1LMNACREBBP
SCHEMBL2114760 0.81 L3MBTL1 (0.54) KMT2AMEN1L3MBTL1LMNACREBBP
SCHEMBL30207773 0.81 L3MBTL1 (0.55) KMT2AMEN1L3MBTL1LMNACREBBP
SCHEMBL6283431 0.80 L3MBTL1 (0.53) KMT2AMEN1L3MBTL1LMNACREBBP
SCHEMBL30394690 0.80 CREBBP (0.58) KMT2AMEN1CREBBPSMN1; SMN2KDM4E
SCHEMBL21725009 0.79 KMT2A (0.49) KMT2AMEN1L3MBTL1LMNACREBBP
SCHEMBL2544694 0.79 L3MBTL1 (0.52) KMT2AMEN1L3MBTL1LMNACREBBP
SCHEMBL27387445 0.78 KMT2A (0.48) KMT2AMEN1LMNACREBBPSMN1; SMN2
SCHEMBL15902156 0.78 ALDH1A1 (0.67) KMT2AMEN1L3MBTL1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO claimed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B KMT2A 2726/4885MEN1 3403/4885L3MBTL1 4469/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B KMT2A 2726/4885MEN1 3403/4885L3MBTL1 4469/4885

“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.