SCHEMBL21486541

SCHEMBL21486541

COc1ccc2c(NC3CCN(C)CC3)nc(NCCNC(=O)CCCCC(=O)NO)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 14/20 1.00
EHMT1 Q9H9B1 12/20 0.79
HDAC1 Q13547 11/20 0.79
HDAC6 Q9UBN7 11/20 0.79
HDAC3 O15379 6/20 0.79
HDAC2 Q92769 6/20 0.79
HDAC10 Q969S8 6/20 0.79
HDAC11 Q96DB2 6/20 0.79
HDAC8 Q9BY41 6/20 0.79
HDAC4 P56524 5/20 0.79
HDAC7 Q8WUI4 5/20 0.79
HDAC9 Q9UKV0 5/20 0.79
HDAC5 Q9UQL6 5/20 0.79
KDM1A O60341 1/20 0.53
RCOR1 Q9UKL0 1/20 0.53
DNMT1 P26358 1/20 0.52
DNMT3A Q9Y6K1 1/20 0.52

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
SCHEMBL21486698 1.00 EHMT2 (1.00) EHMT2EHMT1HDAC1HDAC6HDAC3
SCHEMBL21486596 0.98 EHMT2 (0.97) EHMT2EHMT1HDAC1HDAC6HDAC3
SCHEMBL21499814 0.90 EHMT2 (0.81) EHMT2EHMT1HDAC1HDAC6HDAC3
SCHEMBL21486685 0.89 HDAC1 (1.00) EHMT2EHMT1HDAC1HDAC6HDAC3
SCHEMBL21486544 0.89 HDAC1 (1.00) EHMT2EHMT1HDAC1HDAC6HDAC3
SCHEMBL21486557 0.88 EHMT1 (0.90) EHMT2EHMT1HDAC1HDAC6HDAC3
SCHEMBL21486535 0.88 EHMT1 (0.90) EHMT2EHMT1HDAC1HDAC6HDAC3
SCHEMBL21486551 0.88 EHMT1 (0.90) EHMT2EHMT1HDAC1HDAC6HDAC3
SCHEMBL21486577 0.87 EHMT2 (0.97) EHMT2EHMT1HDAC1HDAC6HDAC3
SCHEMBL21486569 0.87 EHMT1 (0.87) EHMT2EHMT1HDAC1HDAC6HDAC3

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 4/4885EHMT1 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.