SCHEMBL16211377

SCHEMBL16211377

COC(=O)c1ccc(CN(C(=O)N2CCC(F)C2)c2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IDH1 O75874 4/20 0.38
CACNA1B Q00975 1/20 0.38
MLYCD O95822 1/20 0.38
IDH2 P48735 1/20 0.37
KCNH2 Q12809 3/20 0.37
OPRM1 P35372 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
HTR1A P08908 1/20 0.37
DRD4 P21917 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CCR5 P51681 1/20 0.36
RBP4 P02753 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL16211374 1.00 KDM4E (0.39) KDM4EALDH1A1IDH1CACNA1BMLYCD
SCHEMBL16221518 0.89 SIGMAR1 (0.39) KDM4EALDH1A1KCNH2OPRM1SIGMAR1
SCHEMBL16211759 0.88 HDAC6 (0.41) IDH1IDH2KCNH2OPRM1SIGMAR1
SCHEMBL16211757 0.88 HDAC6 (0.41) IDH1IDH2KCNH2OPRM1SIGMAR1
SCHEMBL17618088 0.88 KDM4E (0.37) KDM4EALDH1A1MLYCDOPRM1UBE2M
SCHEMBL25981762 0.88 HTR1A (0.36) IDH1IDH2KCNH2OPRM1SIGMAR1
SCHEMBL16211713 0.87 ALDH1A1 (0.41) KDM4EALDH1A1MLYCDKCNH2OPRM1
SCHEMBL16211517 0.86 ALDH1A1 (0.43) KDM4EALDH1A1MLYCDKCNH2OPRM1
SCHEMBL16211693 0.85 OPRM1 (0.43) KDM4EALDH1A1KCNH2OPRM1SIGMAR1
SCHEMBL16211435 0.85 HDAC1 (0.47) ALDH1A1MLYCDKCNH2OPRM1SIGMAR1

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 5 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-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
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 KDM4E 161/4885ALDH1A1 1381/4885IDH1 1104/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 KDM4E 161/4885ALDH1A1 1381/4885IDH1 1104/4885

“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.