SCHEMBL20184086

SCHEMBL20184086

CN(c1ncccc1CN1Cc2ccc(-c3noc(C(F)(F)F)n3)cc2C1=O)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.45
HDAC1 Q13547 8/20 0.45
HDAC8 Q9BY41 4/20 0.43
HDAC4 P56524 3/20 0.41
PTK2 Q05397 9/20 0.40
HDAC5 Q9UQL6 1/20 0.39
PTK2B Q14289 2/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
PDPK1 O15530 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
STK16 O75716 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
CHEK2 O96017 1/20 0.39
NTRK1 P04629 1/20 0.39
PRKCG P05129 1/20 0.39

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
SCHEMBL20183989 0.83 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC5
SCHEMBL20184056 0.83 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL20197380 0.80 HDAC6 (0.39) HDAC6HDAC1HDAC8HDAC4PTK2
SCHEMBL20184042 0.80 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL20184029 0.80 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL20184064 0.79 HDAC6 (0.51) HDAC6HDAC1HDAC8
SCHEMBL20184047 0.79 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC5
SCHEMBL20184075 0.79 HDAC4 (0.52) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL20184019 0.79 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL20184041 0.79 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC4HDAC5

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-10357484-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-23 US disclosed
US-10357484-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-23 US disclosed
US-20190008836-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-10 US disclosed
EP-3327019-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-05-30 EP 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-10357484-B2 Heterocyclic compound HDAC1, HDAC11, HDAC5 HDAC6 7/4885HDAC1 1/4885HDAC8 10/4885
US-20190008836-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC11, HDAC5 HDAC6 7/4885HDAC1 1/4885HDAC8 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.