SCHEMBL16804352

SCHEMBL16804352

COC(=O)c1ccc(Cn2ccc3c(C4CCN(CC(C)(C)C)CC4)ccnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.40
CYP3A4 P08684 1/20 0.38
P2RY1 P47900 1/20 0.38
KCNH2 Q12809 1/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
CHRM4 P08173 1/20 0.37
YTHDC1 Q96MU7 1/20 0.36
CYP11B2 P19099 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
SCHEMBL16804320 0.94 KDM4E (0.41) KDM4EKMT2ACNR2CYP3A4OPRD1
SCHEMBL16804222 0.93 CNR2 (0.41) KDM4EKMT2ACNR2CYP3A4P2RY1
SCHEMBL16804416 0.91 KDM4E (0.39) KDM4EKMT2ACNR2CYP3A4OPRD1
SCHEMBL18108920 0.89 HDAC6 (0.45) KCNH2
SCHEMBL18852715 0.88 CHKA (0.43) KDM4ECNR2CYP3A4OPRD1OPRK1
SCHEMBL16804034 0.88 KDM4E (0.46) KDM4EKMT2A
SCHEMBL18108847 0.88 CHKA (0.51) KDM4EKMT2ACNR2KCNH2
SCHEMBL16804420 0.88 KDM4E (0.43) KDM4EKMT2ACNR2KCNH2OPRD1
SCHEMBL16804392 0.87 MAPK7 (0.43) KDM4ECNR2CYP3A4OPRD1OPRK1
SCHEMBL18108909 0.87 SMN1; SMN2 (0.51) KDM4EKMT2ANPC1LMNARAB9A

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
EP-3080125-B1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-10-10 EP disclosed
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
WO-2015087151-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-06-18 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 (1 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-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC5, HDAC1, HDAC2 KDM4E 154/4885KMT2A 62/4885CNR2 2197/4885

“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.