SCHEMBL4525707

SCHEMBL4525707

CC(C)Oc1ccc(C(=O)NC(CCO)Cc2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.45
HDAC6 Q9UBN7 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
GUSB P08236 1/20 0.39
KIFC1 Q9BW19 1/20 0.39
AURKA O14965 1/20 0.39
KIF11 P52732 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CHEK2 O96017 1/20 0.38
AURKB Q96GD4 3/20 0.36
ROCK2 O75116 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
IRAK1 P51617 1/20 0.36
PRKX P51817 1/20 0.36

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
SCHEMBL2104700 1.00 CENPE (0.45) CENPEHDAC6PTGDR2GUSBKIFC1
SCHEMBL2104165 0.87 CENPE (0.46) CENPEHDAC6KIFC1TAS1R3TAS1R1
SCHEMBL2105475 0.86 CENPE (0.48) CENPEHDAC6HDAC3HDAC1HDAC2
SCHEMBL2104691 0.85 CENPE (0.49) CENPEHDAC6KIFC1TAS1R3TAS1R1
SCHEMBL13644431 0.85 CENPE (0.45) CENPEHDAC6KIFC1TAS1R3TAS1R1
SCHEMBL4400479 0.85 CENPE (0.45) CENPEHDAC6KIFC1TAS1R3TAS1R1
SCHEMBL2103765 0.85 CENPE (0.45) CENPEHDAC6KIFC1TAS1R3TAS1R1
SCHEMBL4792553 0.84 CENPE (0.51) CENPEPTGDR2KIFC1
SCHEMBL2104601 0.84 CENPE (0.51) CENPEPTGDR2KIFC1
SCHEMBL2104338 0.83 CENPE (0.44) CENPEHDAC6KIFC1TAS1R3TAS1R1

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 54/4885HDAC6 137/4885PTGDR2 3575/4885

“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.