SCHEMBL17078705

SCHEMBL17078705

COC(=O)c1ccc(CN2C[C@@H](C)N(Cc3cccc(CN4CCOCC4)c3)[C@@H](C)C2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 2/20 0.45
BDKRB1 P46663 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MAPK1 P28482 2/20 0.44
ADORA2A P29274 1/20 0.42
ABL1 P00519 1/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
NCF1 P14598 1/20 0.41
CHEK1 O14757 1/20 0.41
PDE4D Q08499 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
SCHEMBL20433168 0.89 HDAC1 (0.57) HIF1AEPAS1HDAC1HDAC6ALDH1A1
SCHEMBL17078893 0.89 HDAC1 (0.57) HIF1AEPAS1HDAC1HDAC6ALDH1A1
SCHEMBL17078921 0.85 SMN1; SMN2 (0.61) HIF1AEPAS1HDAC1HDAC6ALDH1A1
SCHEMBL17078886 0.85 HDAC1 (0.47) HDAC1HDAC6ALDH1A1MAPK1
SCHEMBL31003833 0.84 HIF1A (0.58) HIF1AEPAS1ALDH1A1BDKRB1SMN1; SMN2
SCHEMBL2249598 0.84 HIF1A (0.58) HIF1AEPAS1ALDH1A1BDKRB1SMN1; SMN2
SCHEMBL17078753 0.83 HDAC1 (0.47) HDAC1HDAC6ALDH1A1SMN1; SMN2MAPK1
SCHEMBL17078900 0.79 MAPK1 (0.68) HIF1AEPAS1HDAC1HDAC6ALDH1A1
SCHEMBL17078713 0.79 RAB9A (0.51) HDAC1HDAC6ALDH1A1SMN1; SMN2MAPK1
SCHEMBL17078711 0.79 RAB9A (0.51) HDAC1HDAC6ALDH1A1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2019-05-14 US disclosed
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-06 US disclosed
EP-3116859-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2017-01-18 EP disclosed
WO-2015137750-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-17 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-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same HDAC6, HDAC1, HDAC11 HIF1A 1472/4885EPAS1 3164/4885HDAC1 2/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 HIF1A 2138/4885EPAS1 2555/4885HDAC1 2/4885

“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.