SCHEMBL16804292

SCHEMBL16804292

O=C(NO)c1ccc(Cn2ccc3cc(C4CCN(C(=O)c5cccc(F)c5)CC4)cnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.52
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC3 O15379 1/20 0.42
MGLL Q99685 1/20 0.42
HSD11B1 P28845 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 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
SCHEMBL18125620 0.91 EGLN1 (0.49) EGLN1HDAC1HDAC6HDAC2HDAC8
SCHEMBL16804376 0.90 EGLN1 (0.49) EGLN1ALDH1A1GAAGFERUBE2M
SCHEMBL16804189 0.88 HDAC1 (0.44) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL18108957 0.86 GAA (0.44) EGLN1ALDH1A1GAAHDAC1HDAC6
SCHEMBL18108941 0.86 HDAC6 (0.47) EGLN1HDAC1HDAC6HDAC2HDAC8
SCHEMBL16804299 0.85 HDAC1 (0.50) EGLN1HDAC1HDAC6HDAC2HDAC8
SCHEMBL18109078 0.84 HDAC6 (0.52) EGLN1HDAC1HDAC6HDAC2HDAC8
SCHEMBL18108877 0.84 HRH3 (0.46) GAAHDAC1HDAC6HDAC2HDAC8
SCHEMBL16804350 0.83 HDAC6 (0.47) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL18109025 0.83 HDAC6 (0.41) EGLN1HDAC1HDAC6HDAC2HDAC8

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 6 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-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 EGLN1 1240/4885ALDH1A1 688/4885GAA 350/4885

“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.