SCHEMBL16211649

SCHEMBL16211649

COC(=O)c1ccc(CN(C(=O)N2CC(C)OC(C)C2)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD11B1 P28845 1/20 0.50
HDAC1 Q13547 9/20 0.49
HDAC6 Q9UBN7 9/20 0.49
HDAC8 Q9BY41 7/20 0.49
HDAC5 Q9UQL6 2/20 0.48
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
RORC P51449 1/20 0.44
NR1H4 Q96RI1 2/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL16211494 0.89 HDAC6 (0.53) SMN1; SMN2ALDH1A1HSD11B1HDAC1HDAC6
SCHEMBL16211501 0.89 HDAC6 (0.47) HDAC1HDAC6HDAC8HDAC5POLB
SCHEMBL16211384 0.88 HDAC6 (0.46) HDAC1HDAC6HDAC8HDAC5POLB
SCHEMBL16212015 0.88 NR1H4 (0.44) SMN1; SMN2ALDH1A1HSD11B1HDAC1HDAC6
SCHEMBL25980754 0.88 HDAC6 (0.48) SMN1; SMN2ALDH1A1HSD11B1HDAC1HDAC6
SCHEMBL17618032 0.87 RAB9A (0.46) ALDH1A1HSD11B1NR1H4NPC1KMT2A
SCHEMBL16211396 0.86 HDAC1 (0.51) HDAC1HDAC6HDAC8HDAC5POLB
SCHEMBL16211741 0.86 HDAC1 (0.44) SMN1; SMN2HDAC1HDAC6HDAC8HDAC5
SCHEMBL16211409 0.86 HDAC6 (0.44) HDAC1HDAC6HDAC8HDAC5POLB
SCHEMBL17618081 0.86 KDM4E (0.43) SMN1; SMN2ALDH1A1POLBNPC1KMT2A

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 SMN1; SMN2 939/4885ALDH1A1 1381/4885HSD11B1 1590/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 SMN1; SMN2 939/4885ALDH1A1 1381/4885HSD11B1 1590/4885

“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.