SCHEMBL16804340

SCHEMBL16804340

COc1cccc(CN2CCN(c3ccnc4c3ccn4Cc3ccc(C(=O)NO)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.53
HDAC6 Q9UBN7 5/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
SRPK1 Q96SB4 1/20 0.46
HDAC4 P56524 1/20 0.45
KCNH2 Q12809 1/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL18108845 0.92 LMNA (0.51) KDM4EMAPTTP53TSHRHSD17B10
SCHEMBL18108917 0.92 HDAC1 (0.60) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL18108911 0.88 HDAC1 (0.60) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL16804315 0.88 HTR6 (0.48) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL16804168 0.86 HDAC1 (0.50) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL18125602 0.85 HDAC6 (0.49) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL18108947 0.84 HDAC1 (0.48) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL16804235 0.84 HDAC1 (0.51) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL16804242 0.84 HDAC1 (0.48) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL20525428 0.83 KDM4E (0.47) KDM4EGAAALDH1A1KLKB1KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC1 2/4885HDAC6 4/4885HDAC8 10/4885

“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.