SCHEMBL1781968

SCHEMBL1781968

COC(=O)C=Cc1ccc(C2CCCN2CCCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.53
KCNH2 Q12809 1/20 0.53
EPHX2 P34913 2/20 0.45
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
KDM1A O60341 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
FKBP1A P62942 1/20 0.42
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL1781969 1.00 HDAC1 (0.53) HDAC1KCNH2EPHX2AKR1B10AKR1B1
SCHEMBL3411782 1.00 HDAC1 (0.53) HDAC1KCNH2EPHX2AKR1B10AKR1B1
SCHEMBL1781962 1.00 HDAC1 (0.53) HDAC1KCNH2EPHX2AKR1B10AKR1B1
SCHEMBL1780210 0.94 HDAC1 (0.54) HDAC1KCNH2EPHX2AKR1B10AKR1B1
SCHEMBL1780212 0.94 HDAC1 (0.54) HDAC1KCNH2EPHX2AKR1B10AKR1B1
SCHEMBL1780209 0.94 HDAC1 (0.54) HDAC1KCNH2EPHX2AKR1B10AKR1B1
SCHEMBL1777865 0.88 HDAC1 (0.64) HDAC1KCNH2EPHX2
SCHEMBL1777863 0.88 HDAC1 (0.64) HDAC1KCNH2EPHX2
SCHEMBL1780607 0.88 OPRK1 (0.52) HDAC1KCNH2KDM1AALDH1A1NR1H4
SCHEMBL1780604 0.88 OPRK1 (0.52) HDAC1KCNH2KDM1AALDH1A1NR1H4

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 2802/4885EPHX2 998/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 2802/4885EPHX2 998/4885

“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.