SCHEMBL4528871

SCHEMBL4528871

CC(O)CC(Cc1ccc(-c2cn3ccsc3n2)cc1)NC(=O)c1ccc(OC(C)C)c(C#N)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.65
TP53 P04637 5/20 0.43
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
S1PR1 P21453 6/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
S1PR5 Q9H228 4/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL2104065 1.00 CENPE (0.65) CENPETP53MAPTPOLBNPC1
SCHEMBL13642792 0.86 CENPE (0.84) CENPETP53MAPTPOLBNPC1
SCHEMBL3461325 0.86 CENPE (0.73) CENPEMAPTHPGDKDM4EALDH1A1
SCHEMBL13642966 0.86 CENPE (0.84) CENPETP53MAPTPOLBNPC1
SCHEMBL3461465 0.86 CENPE (0.84) CENPETP53MAPTPOLBNPC1
SCHEMBL15865538 0.86 CENPE (0.84) CENPETP53MAPTPOLBNPC1
SCHEMBL13642756 0.86 CENPE (0.73) CENPEMAPTHPGDKDM4EALDH1A1
SCHEMBL2105021 0.86 CENPE (0.59) CENPETP53MAPTS1PR1S1PR5
SCHEMBL2104178 0.84 CENPE (0.58) CENPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3462714 0.82 CENPE (0.57) CENPES1PR1S1PR5S1PR3XDH

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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885TP53 30/4885MAPT 294/4885

“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.