SCHEMBL20184067

SCHEMBL20184067

CC1(C)c2ccc(-c3noc(C(F)(F)F)n3)cc2C(=O)N1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.48
HDAC1 Q13547 9/20 0.48
HDAC8 Q9BY41 7/20 0.48
HDAC4 P56524 8/20 0.46
HDAC5 Q9UQL6 4/20 0.46
HDAC3 O15379 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC9 Q9UKV0 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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 0.78 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL20529800 0.72 HDAC6 (0.62) HDAC6HDAC1HDAC8HDAC4
SCHEMBL29627686 0.72 HDAC6 (0.62) HDAC6HDAC1HDAC8HDAC4
SCHEMBL20184021 0.71 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL18383884 0.70 HDAC6 (0.42) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL19746136 0.70 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL20184029 0.70 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL20183991 0.70 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL28350658 0.70 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC4HDAC2
SCHEMBL19746710 0.70 HDAC6 (0.53) 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.