SCHEMBL21486540

SCHEMBL21486540

COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCCCCC(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 18/20 1.00
EHMT1 Q9H9B1 2/20 0.78
HDAC1 Q13547 1/20 0.78
HDAC6 Q9UBN7 1/20 0.78
CHD1 O14646 2/20 0.69
WHR1 P49842 1/20 0.67

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
SCHEMBL21486563 1.00 EHMT2 (1.00) EHMT2EHMT1HDAC1HDAC6CHD1
SCHEMBL21499774 0.87 EHMT2 (0.81) EHMT2EHMT1HDAC1HDAC6
SCHEMBL25204668 0.87 EHMT2 (1.00) EHMT2EHMT1CHD1
SCHEMBL21486547 0.87 EHMT2 (0.77) EHMT2EHMT1HDAC1HDAC6
SCHEMBL21486550 0.87 EHMT2 (0.77) EHMT2EHMT1HDAC1HDAC6
SCHEMBL25227544 0.87 EHMT2 (0.77) EHMT2EHMT1
SCHEMBL29382144 0.87 EHMT2 (0.77) EHMT2EHMT1
SCHEMBL29385494 0.86 EHMT2 (0.98) EHMT2EHMT1CHD1
SCHEMBL19617550 0.86 EHMT2 (0.98) EHMT2EHMT1CHD1
SCHEMBL25200938 0.84 EHMT2 (0.95) 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 2 patents. 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
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 4/4885EHMT1 5/4885HDAC1 1/4885

“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.