SCHEMBL2396332

SCHEMBL2396332

CCOC(=O)c1cn(C/C=C/c2ccccc2F)c2c(c1=O)C(=O)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 4/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.37
CYP2D6 P10635 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
BRD4 O60885 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL2396334 1.00 KMT2A (0.40) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2396463 0.87 CHRM1 (0.36) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL2396465 0.87 CHRM1 (0.36) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL2396359 0.87 CHRM1 (0.36) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL2394918 0.81 ALDH1A1 (0.43) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2394921 0.81 ALDH1A1 (0.43) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL12310546 0.80 ALDH1A1 (0.36) KMT2AALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL11393782 0.78 KDM4E (0.48) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2397287 0.74 HDAC1 (0.48) ALDH1A1KDM4EHSD17B10HPGDTP53
SCHEMBL2396737 0.72 HDAC1 (0.52) ALDH1A1KDM4EHSD17B10HPGDTP53

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 3 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-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 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 (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 KMT2A 2518/4885ALDH1A1 2232/4885KDM4E 1574/4885

“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.