SCHEMBL21707466

SCHEMBL21707466

O=C(CCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO

nearest known ligand 0.98

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.98
HDAC1 Q13547 5/20 0.98
HDAC3 O15379 4/20 0.98
HDAC2 Q92769 4/20 0.98
HDAC8 Q9BY41 4/20 0.98
HDAC7 Q8WUI4 3/20 0.98
HDAC4 P56524 2/20 0.98
HDAC10 Q969S8 2/20 0.98
HDAC5 Q9UQL6 2/20 0.98
NCOR2 Q9Y618 1/20 0.98
HDAC11 Q96DB2 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62

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
Ricolinostat SCHEMBL574580 0.99 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL28085707 0.91 HDAC6 (0.84) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL21943234 0.90 HDAC6 (0.83) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2226158 0.90 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL18347205 0.90 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC8
Citarinostat SCHEMBL2225863 0.90 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC8
Citarinostat SCHEMBL29882816 0.90 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL26079021 0.89 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2225424 0.89 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2226917 0.88 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11357776-B2 Pharmaceutical combinations comprising a histone deacetylase inhibitor and an aurora kinase inhibitor and methods of use thereof ACETYLON PHARMACEUTICALS, INC. (US) 2022-06-14 US disclosed
US-20200046698-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A HISTONE DEACETYLASE INHIBITOR AND AN AURORA KINASE INHIBITOR AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS, INC. 2020-02-13 US 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-20200046698-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A HISTONE DEACETYLASE INHIBITOR AND AN AURORA KINASE INHIBITOR AND METHODS OF USE THEREOF HDAC1, HDAC3, HDAC8 HDAC6 4/4885HDAC1 1/4885HDAC3 2/4885
US-11357776-B2 Pharmaceutical combinations comprising a histone deacetylase inhibitor and an aurora kinase inhibitor and methods of use thereof HDAC1, HDAC3, HDAC8 HDAC6 4/4885HDAC1 1/4885HDAC3 2/4885

“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.