SCHEMBL5226813

SCHEMBL5226813

CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.56
ALDH1A1 P00352 5/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 3/20 0.49
GAA P10253 3/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 4/20 0.48
GSK3A P49840 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TDP1 Q9NUW8 2/20 0.45
GALK1 P51570 1/20 0.45
LMNA P02545 1/20 0.45
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
CSNK1D P48730 1/20 0.45

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
SCHEMBL5231926 0.87 KDM4E (0.52) GSK3BALDH1A1TSHRKDM4EGAA
SCHEMBL3328903 0.84 KDM4E (0.64) ALDH1A1TSHRKDM4EGAAGLA
SCHEMBL5922593 0.84 GSK3B (0.47) GSK3BALDH1A1TSHRKDM4EGAA
SCHEMBL7979577 0.82 KDM4E (0.62) GSK3BALDH1A1TSHRKDM4EGAA
SCHEMBL5922588 0.81 GSK3B (0.48) GSK3BALDH1A1TSHRKDM4EGAA
SCHEMBL8186663 0.81 GSK3B (0.55) GSK3BALDH1A1TSHRKDM4EGAA
SCHEMBL3354067 0.81 KDM4E (0.64) ALDH1A1TSHRKDM4EGAAGLA
SCHEMBL5813926 0.80 GSK3B (0.58) GSK3BALDH1A1TSHRKDM4EGAA
SCHEMBL3323326 0.79 KDM4E (0.69) ALDH1A1TSHRKDM4EGAAGLA
SCHEMBL3324047 0.79 KDM4E (0.57) ALDH1A1TSHRKDM4EGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 US claimed
EP-1814554-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-08-08 EP disclosed
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 US disclosed
WO-2006047537-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2006-05-04 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-20060116369-A1 Certain compounds, compositions, and methods PCNA, MKI67, TP53 GSK3B 2247/4885ALDH1A1 791/4885TSHR 4614/4885

“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.