SCHEMBL8010329

SCHEMBL8010329

O=Cc1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)C(=O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
CSNK2A1 P68400 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
BRD4 O60885 1/20 0.40
CHRM1 P11229 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 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
SCHEMBL12310612 0.87 SLC2A1 (0.42) BRD4CHRM1ALDH1A1SMN1; SMN2HTT
SCHEMBL12310583 0.83 HDAC1 (0.56) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1
SCHEMBL8010027 0.81 CHRM1 (0.56) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1
SCHEMBL12310584 0.78 HCRTR1 (0.38) HDAC6CHRM1ALDH1A1SMN1; SMN2HTT
SCHEMBL2397287 0.76 HDAC1 (0.48) HDAC1HDAC6CHRM1ALDH1A1SMN1; SMN2
SCHEMBL31471646 0.72 HDAC1 (0.50) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1
SCHEMBL12310546 0.72 ALDH1A1 (0.36) CSNK2A2CSNK2BCSNK2A1ABCG2ALDH1A1
SCHEMBL2396353 0.70 CHRM1 (0.59) CHRM1LMNA
SCHEMBL24109676 0.65 HDAC1 (0.48) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1
SCHEMBL18002172 0.65 HDAC8 (0.54) HDAC6ALDH1A1SMN1; SMN2HTTFAAH

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
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
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 HDAC1 1696/4885HDAC6 4362/4885CSNK2A2 1399/4885

“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.