SCHEMBL2394918

SCHEMBL2394918

CCOC(=O)c1cn(C/C=C/Br)c2c(c1=O)C(=O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 4/20 0.41
BRD4 O60885 1/20 0.40
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.38
CYP1A2 P05177 3/20 0.37
HTT P42858 2/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2394921 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HPGDTP53
SCHEMBL11393782 0.85 KDM4E (0.48) ALDH1A1KDM4EHSD17B10HPGDTP53
SCHEMBL2396332 0.81 KMT2A (0.40) ALDH1A1KDM4EHSD17B10HPGDTP53
SCHEMBL2396334 0.81 KMT2A (0.40) ALDH1A1KDM4EHSD17B10HPGDTP53
SCHEMBL12310545 0.80 HDAC1 (0.40) ALDH1A1SMN1; SMN2BRD4KMT2AHTT
SCHEMBL2396737 0.79 HDAC1 (0.52) ALDH1A1KDM4EHSD17B10HPGDTP53
SCHEMBL2397287 0.75 HDAC1 (0.48) ALDH1A1KDM4EHSD17B10HPGDTP53
SCHEMBL6497082 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDTP53
SCHEMBL2394809 0.70 KDM4E (0.43) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL394742 0.68 KDM4E (0.49) ALDH1A1KDM4EHSD17B10BRD4KMT2A

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
EP-2252299-B1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-8022215-B2 Fused pyridone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2011-09-20 US disclosed
US-8022215-B2 Fused pyridone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2011-09-20 US disclosed
US-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 US disclosed
US-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 US disclosed
EP-2252299-A1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2010-11-24 EP disclosed
WO-2009102588-A1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-08-20 WO disclosed
WO-2009102588-A1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-08-20 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-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, CHRM4 ALDH1A1 2232/4885KDM4E 1574/4885HSD17B10 3509/4885

“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.