SCHEMBL20184091

SCHEMBL20184091

O=C1c2cc(-c3noc(C(F)(F)F)n3)ccc2CN1Cc1ccc(N2CCCC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.50
HDAC1 Q13547 11/20 0.50
HDAC8 Q9BY41 7/20 0.49
HDAC5 Q9UQL6 1/20 0.42
ADAM17 P78536 1/20 0.41
HDAC4 P56524 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
SCHEMBL20184007 0.84 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL20184026 0.81 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC4
SCHEMBL20184063 0.81 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL20583208 0.80 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL20197383 0.80 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC4
SCHEMBL18383999 0.80 HDAC6 (0.45) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL20183984 0.79 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC5
SCHEMBL20505616 0.77 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL21179859 0.77 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL20184019 0.77 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC5HDAC4

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.