SCHEMBL1780182

SCHEMBL1780182

COC(=O)C=Cc1ccc(C2CCCN2CCc2c(C)nn(CC3CCOCC3)c2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.52
KCNH2 Q12809 1/20 0.46
HTT P42858 1/20 0.35
SLC2A1 P11166 1/20 0.33
SLC2A2 P11168 1/20 0.33
SLC2A3 P11169 1/20 0.33
PRKDC P78527 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
P2RX7 Q99572 1/20 0.32
NR3C1 P04150 1/20 0.32
KDM1A O60341 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
EZH2 Q15910 1/20 0.31

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
SCHEMBL1780183 1.00 HDAC1 (0.52) HDAC1KCNH2HTTSLC2A1SLC2A2
SCHEMBL1780178 1.00 HDAC1 (0.52) HDAC1KCNH2HTTSLC2A1SLC2A2
SCHEMBL1780644 0.94 HDAC1 (0.55) HDAC1KCNH2HTTPTGDR2P2RX7
SCHEMBL1780640 0.94 HDAC1 (0.55) HDAC1KCNH2HTTPTGDR2P2RX7
SCHEMBL3431522 0.94 HDAC1 (0.55) HDAC1KCNH2HTTPTGDR2P2RX7
SCHEMBL1780646 0.94 HDAC1 (0.55) HDAC1KCNH2HTTPTGDR2P2RX7
SCHEMBL1779455 0.91 HDAC1 (0.63) HDAC1KCNH2PTGDR2HDAC8HDAC6
SCHEMBL1779454 0.91 HDAC1 (0.63) HDAC1KCNH2PTGDR2HDAC8HDAC6
SCHEMBL1779452 0.91 HDAC1 (0.63) HDAC1KCNH2PTGDR2HDAC8HDAC6
SCHEMBL1780268 0.88 HDAC1 (0.57) HDAC1KCNH2HTTPTGDR2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260020-B1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2014-07-23 EP disclosed
EP-2628726-A1 Hydroxamate-based inhibitors of deacetylases b Novartis AG (CH) 2013-08-21 EP disclosed
US-8349883-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2013-01-08 US disclosed
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2011-07-28 US disclosed
US-7943652-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2011-05-17 US disclosed
EP-2260020-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B Novartis AG (CH) 2010-12-15 EP disclosed
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 US disclosed
WO-2009118305-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2009-10-01 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 (2 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-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 2802/4885HTT 1121/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 2802/4885HTT 1121/4885

“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.