SCHEMBL21486539

SCHEMBL21486539

COc1cc2nc(NCCNC(=O)CCCCCCC(=O)NO)nc(NC3CCN(C(C)C)CC3)c2cc1OC

nearest known ligand 0.91

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.91
HDAC6 Q9UBN7 11/20 0.91
EHMT1 Q9H9B1 9/20 0.91
EHMT2 Q96KQ7 11/20 0.74
HDAC3 O15379 5/20 0.74
HDAC4 P56524 5/20 0.74
HDAC7 Q8WUI4 5/20 0.74
HDAC2 Q92769 5/20 0.74
HDAC10 Q969S8 5/20 0.74
HDAC11 Q96DB2 5/20 0.74
HDAC8 Q9BY41 5/20 0.74
HDAC9 Q9UKV0 5/20 0.74
HDAC5 Q9UQL6 5/20 0.74
WHR1 P49842 3/20 0.67
SPIN1 Q9Y657 1/20 0.58

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
SCHEMBL21486546 1.00 HDAC1 (0.91) HDAC1HDAC6EHMT1EHMT2HDAC3
SCHEMBL21486548 1.00 HDAC1 (0.91) HDAC1HDAC6EHMT1EHMT2HDAC3
SCHEMBL21486692 0.98 HDAC1 (0.88) HDAC1HDAC6EHMT1EHMT2HDAC3
SCHEMBL21486535 0.91 EHMT1 (0.90) HDAC1HDAC6EHMT1EHMT2HDAC3
SCHEMBL21486551 0.91 EHMT1 (0.90) HDAC1HDAC6EHMT1EHMT2HDAC3
SCHEMBL21486557 0.91 EHMT1 (0.90) HDAC1HDAC6EHMT1EHMT2HDAC3
SCHEMBL21499813 0.90 EHMT1 (0.73) HDAC1HDAC6EHMT1EHMT2HDAC3
SCHEMBL21486569 0.89 EHMT1 (0.87) HDAC1HDAC6EHMT1EHMT2HDAC3
SCHEMBL28521596 0.86 EHMT1 (1.00) HDAC1HDAC6EHMT1EHMT2HDAC3
SCHEMBL21486545 0.85 EHMT2 (1.00) HDAC1HDAC6EHMT1EHMT2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190322643-A1 HISTONE DEACETYLASE AND HISTONE METHYLTRANSFERASE INHIBITORS AND METHODS OF MAKING AND USE OF THE SAME GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-10-24 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 (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-20190322643-A1 HISTONE DEACETYLASE AND HISTONE METHYLTRANSFERASE INHIBITORS AND METHODS OF MAKING AND USE OF THE SAME HDAC1, HDAC2, DOT1L HDAC1 1/4885HDAC6 20/4885EHMT1 5/4885

“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.