SCHEMBL21486544

SCHEMBL21486544

COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 1.00
EHMT2 Q96KQ7 12/20 1.00
HDAC6 Q9UBN7 11/20 1.00
HDAC3 O15379 6/20 1.00
HDAC2 Q92769 6/20 1.00
HDAC10 Q969S8 6/20 1.00
HDAC11 Q96DB2 6/20 1.00
HDAC8 Q9BY41 6/20 1.00
HDAC4 P56524 5/20 1.00
HDAC7 Q8WUI4 5/20 1.00
HDAC9 Q9UKV0 5/20 1.00
HDAC5 Q9UQL6 5/20 1.00
EHMT1 Q9H9B1 5/20 1.00
DNMT3A Q9Y6K1 2/20 0.60
DNMT1 P26358 1/20 0.60
KDM1A O60341 5/20 0.58
RCOR1 Q9UKL0 5/20 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
SCHEMBL21486685 1.00 HDAC1 (1.00) HDAC1EHMT2HDAC6HDAC3HDAC2
SCHEMBL21486577 0.98 EHMT2 (0.97) HDAC1EHMT2HDAC6HDAC3HDAC2
SCHEMBL21499929 0.91 EHMT2 (0.83) HDAC1EHMT2HDAC6HDAC3HDAC2
SCHEMBL21486545 0.90 EHMT2 (1.00) HDAC1EHMT2HDAC6HDAC3HDAC2
SCHEMBL21486698 0.89 EHMT2 (1.00) HDAC1EHMT2HDAC6HDAC3HDAC2
SCHEMBL21486541 0.89 EHMT2 (1.00) HDAC1EHMT2HDAC6HDAC3HDAC2
SCHEMBL21486596 0.87 EHMT2 (0.97) HDAC1EHMT2HDAC6HDAC3HDAC2
SCHEMBL21486537 0.83 EHMT2 (0.71) HDAC1EHMT2HDAC6HDAC3HDAC2
SCHEMBL31351258 0.81 EHMT2 (0.81) HDAC1EHMT2HDAC6HDAC3HDAC2
SCHEMBL21499814 0.79 EHMT2 (0.81) HDAC1EHMT2HDAC6HDAC3HDAC2

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 1/4885EHMT2 4/4885HDAC6 20/4885

“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.