SCHEMBL16804193

SCHEMBL16804193

C[C@@H]1CN(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)C[C@H](C)N1Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 11/20 0.50
▸ HDAC1 Q13547 10/20 0.50
▸ CHRM4 P08173 1/20 0.42
▸ HDAC8 Q9BY41 5/20 0.41
▸ HDAC2 Q92769 4/20 0.41
▸ HDAC3 O15379 3/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ EPHX2 P34913 2/20 0.39
▸ PPARG P37231 2/20 0.39
▸ STAT6 P42226 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ JAK1 P23458 2/20 0.39
▸ TYK2 P29597 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ GLO1 Q04760 1/20 0.38

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
SCHEMBL16804338 0.91 METAP2 (0.44) HDAC6HDAC1CHRM4METAP2MAOB
SCHEMBL16804178 0.89 HDAC6 (0.51) HDAC6HDAC1CHRM4HDAC8HDAC2
SCHEMBL16804179 0.88 HDAC1 (0.47) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL16804406 0.87 HDAC6 (0.44) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL18852703 0.86 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL18108974 0.85 HDAC1 (0.47) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL18108922 0.85 HDAC6 (0.40) HDAC6HDAC1CHRM4HDAC8HDAC2
SCHEMBL18108949 0.84 HDAC6 (0.41) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL18109108 0.82 HDAC1 (0.50) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL16804276 0.81 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC2HDAC3

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 HDAC6 4/4885HDAC1 2/4885CHRM4 4088/4885

“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.

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