SCHEMBL16211713

SCHEMBL16211713

COC(=O)c1ccc(CN(C(=O)N2CCCCC2)c2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR1A P08908 2/20 0.40
RAB9A P51151 2/20 0.40
MLYCD O95822 1/20 0.40
AR P10275 1/20 0.39
OPRM1 P35372 4/20 0.39
SIGMAR1 Q99720 3/20 0.39
KCNH2 Q12809 1/20 0.39
GLA P06280 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL16211693 0.91 OPRM1 (0.43) ALDH1A1KDM4EOPRM1SIGMAR1KCNH2
SCHEMBL16211435 0.91 HDAC1 (0.47) ALDH1A1MLYCDOPRM1SIGMAR1KCNH2
SCHEMBL22217688 0.90 KDM4E (0.39) ALDH1A1KDM4EMLYCDOPRM1SIGMAR1
SCHEMBL22217687 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EMLYCDOPRM1SIGMAR1
SCHEMBL16221516 0.88 OPRM1 (0.41) ALDH1A1KDM4EHTR1AOPRM1SIGMAR1
SCHEMBL25981752 0.88 HTR1A (0.38) HTR1AOPRM1SIGMAR1KCNH2HDAC1
SCHEMBL16211266 0.87 HDAC6 (0.42) HTR1AOPRM1SIGMAR1KCNH2HDAC1
SCHEMBL16211377 0.87 KDM4E (0.39) ALDH1A1KDM4EHTR1AMLYCDOPRM1
SCHEMBL16211374 0.87 KDM4E (0.39) ALDH1A1KDM4EHTR1AMLYCDOPRM1
SCHEMBL17618086 0.86 RAB9A (0.43) ALDH1A1KDM4EHTR1ARAB9AAR

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
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

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 ALDH1A1 1381/4885KDM4E 161/4885HTR1A 3115/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 ALDH1A1 1381/4885KDM4E 161/4885HTR1A 3115/4885

“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.