SCHEMBL1780640

SCHEMBL1780640

COC(=O)/C=C/c1ccc([C@@H]2CCCN2CCc2c(C)nn(CC3CC3)c2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.55
KCNH2 Q12809 1/20 0.49
HTT P42858 1/20 0.37
P2RX7 Q99572 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
KDM1A O60341 3/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
NR1H4 Q96RI1 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RAB9A P51151 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
SCHEMBL1780644 1.00 HDAC1 (0.55) HDAC1KCNH2HTTP2RX7OPRM1
SCHEMBL1780646 1.00 HDAC1 (0.55) HDAC1KCNH2HTTP2RX7OPRM1
SCHEMBL3431522 1.00 HDAC1 (0.55) HDAC1KCNH2HTTP2RX7OPRM1
SCHEMBL1780183 0.94 HDAC1 (0.52) HDAC1KCNH2HTTP2RX7OPRM1
SCHEMBL1780178 0.94 HDAC1 (0.52) HDAC1KCNH2HTTP2RX7OPRM1
SCHEMBL1780182 0.94 HDAC1 (0.52) HDAC1KCNH2HTTP2RX7OPRM1
SCHEMBL1780265 0.91 HDAC1 (0.57) HDAC1KCNH2HTTOPRM1OPRK1
SCHEMBL3429525 0.91 HDAC1 (0.57) HDAC1KCNH2HTTOPRM1OPRK1
SCHEMBL1780268 0.91 HDAC1 (0.57) HDAC1KCNH2HTTOPRM1OPRK1
SCHEMBL1780264 0.91 HDAC1 (0.57) HDAC1KCNH2HTTOPRM1OPRK1

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 6 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
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 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 (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.