SCHEMBL16211593

SCHEMBL16211593

COC(=O)c1ccc(CN(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.50
CACNB1 Q02641 3/20 0.50
CACNA1B Q00975 2/20 0.50
CACNA1C Q13936 2/20 0.50
HDAC1 Q13547 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC8 Q9BY41 3/20 0.48
SLC6A9 P48067 1/20 0.47
OPRD1 P41143 2/20 0.46
CACNA1A O00555 2/20 0.45
HDAC5 Q9UQL6 2/20 0.44
NR1H4 Q96RI1 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
RORC P51449 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL16211510 0.89 HDAC1 (0.52) CACNA2D1CACNB1CACNA1BCACNA1CHDAC1
SCHEMBL17618067 0.88 OPRD1 (0.48) CACNA2D1CACNB1CACNA1BCACNA1CSLC6A9
SCHEMBL16211818 0.87 HDAC1 (0.52) HDAC1HDAC6HDAC8HDAC5POLB
SCHEMBL16211327 0.87 HDAC6 (0.53) HDAC1HDAC6HDAC8HDAC5NR1H4
SCHEMBL16211481 0.86 ALDH1A1 (0.52) HDAC1HDAC6HDAC8OPRD1MAPT
SCHEMBL16211581 0.86 HDAC1 (0.52) HDAC1HDAC6HDAC8HDAC5NR1H4
SCHEMBL16211284 0.86 HDAC1 (0.54) HDAC1HDAC6HDAC8HDAC5NR1H4
SCHEMBL16221530 0.84 HDAC6 (0.52) HDAC1HDAC6HDAC8HDAC5NR1H4
SCHEMBL16211302 0.84 HDAC1 (0.66) HDAC1HDAC6HDAC8HDAC5NR1H4
SCHEMBL16211391 0.83 HDAC1 (0.50) HDAC1HDAC6HDAC8HDAC5NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 US disclosed
EP-2991982-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2016-03-09 EP disclosed
WO-2014178606-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-11-06 WO disclosed
WO-2014178606-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-11-06 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-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 CACNA2D1 4536/4885CACNB1 4760/4885CACNA1B 4114/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 CACNA2D1 4536/4885CACNB1 4760/4885CACNA1B 4114/4885

“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.