SCHEMBL21486547

SCHEMBL21486547

COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C(=O)CCCCCC(=O)NO)CC3)c2cc1OC

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 17/20 0.77
HDAC1 Q13547 3/20 0.73
HDAC6 Q9UBN7 3/20 0.73
EHMT1 Q9H9B1 9/20 0.70

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
SCHEMBL21486550 1.00 EHMT2 (0.77) EHMT2HDAC1HDAC6EHMT1
SCHEMBL21486540 0.87 EHMT2 (1.00) EHMT2HDAC1HDAC6EHMT1
SCHEMBL21486563 0.87 EHMT2 (1.00) EHMT2HDAC1HDAC6EHMT1
SCHEMBL15280244 0.85 EHMT2 (0.72) EHMT2EHMT1
SCHEMBL21499774 0.84 EHMT2 (0.81) EHMT2HDAC1HDAC6EHMT1
SCHEMBL25227544 0.83 EHMT2 (0.77) EHMT2EHMT1
SCHEMBL29382144 0.83 EHMT2 (0.77) EHMT2EHMT1
SCHEMBL15280271 0.82 EHMT2 (0.81) EHMT2EHMT1
SCHEMBL15280519 0.81 EHMT2 (0.68) EHMT2EHMT1
SCHEMBL29024867 0.79 EHMT2 (0.76) EHMT2EHMT1

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 EHMT2 4/4885HDAC1 1/4885HDAC6 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.