SCHEMBL4504652

SCHEMBL4504652

[NH]C(=O)C1C=CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACP3 P15309 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOTUM Q6P988 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 1/20 0.32
ACE P12821 1/20 0.31
PIN1 Q13526 1/20 0.31
ANPEP P15144 1/20 0.31
HTR2A P28223 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL31141576 0.84 TSHR (0.40) HDAC4HDAC7HDAC5ALDH1A1GAA
SCHEMBL3457904 0.84 TSHR (0.40) HDAC4HDAC7HDAC5ALDH1A1GAA
SCHEMBL10732203 0.82 HDAC4 (0.35) HDAC4HDAC7HDAC5ALDH1A1GAA
SCHEMBL3072198 0.82 ALDH1A1 (0.44) HDAC4HDAC7HDAC5ALDH1A1GAA
SCHEMBL6034027 0.79 MAPT (0.43) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL10833761 0.74 POLB (0.39) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL10824801 0.73 MME (0.40) HDAC4HDAC7HDAC5ALDH1A1GAA
SCHEMBL2525691 0.71 HTR2A (0.35) HDAC4HDAC7HDAC5ALDH1A1GAA
SCHEMBL31276808 0.71 HTR2A (0.35) HDAC4HDAC7HDAC5ALDH1A1GAA
SCHEMBL4440305 0.71 HTR2A (0.35) HDAC4HDAC7HDAC5ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 HDAC4 2326/4885HDAC7 1983/4885HDAC5 1730/4885

“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.