SCHEMBL13965629

SCHEMBL13965629

CCCC(=O)CCCOc1cnc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
VNN1 O95497 10/20 0.40
MPO P05164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
FAAH O00519 1/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL15276001 0.86 PIN1 (0.46) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL135505 0.86 L3MBTL1 (0.43) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL130788 0.83 PSEN1 (0.42) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL15276127 0.76 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL12051862 0.75 VNN1 (0.44) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL31141680 0.73 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL1588632 0.72 CETP (0.43) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL12051471 0.71 CETP (0.42) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL31141614 0.70 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL131359 0.68 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 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-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB HDAC3 1341/4885HDAC1 1425/4885HDAC2 1921/4885

“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.