SCHEMBL21486543

SCHEMBL21486543

COc1ccc2c(NC3CCN(C(C)C)CC3)nc(Cl)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 5/20 0.73
EHMT2 Q96KQ7 7/20 0.55
WHR1 P49842 6/20 0.53
CCR4 P51679 2/20 0.51
DNMT3A Q9Y6K1 1/20 0.50
EHMT1 Q9H9B1 1/20 0.50

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
SCHEMBL31016435 1.00 NSD2 (0.73) NSD2EHMT2WHR1CCR4DNMT3A
SCHEMBL31016453 0.91 NSD2 (0.73) NSD2EHMT2WHR1CCR4DNMT3A
SCHEMBL31016448 0.84 EHMT2 (0.77) NSD2EHMT2WHR1CCR4EHMT1
SCHEMBL22144764 0.84 EHMT2 (0.77) NSD2EHMT2WHR1CCR4EHMT1
SCHEMBL31016443 0.84 EHMT2 (0.77) NSD2EHMT2WHR1CCR4EHMT1
SCHEMBL31016439 0.84 NSD2 (1.00) NSD2EHMT2EHMT1
SCHEMBL31016449 0.82 WHR1 (0.74) NSD2EHMT2WHR1
SCHEMBL21486538 0.81 DNMT3A (0.74) NSD2EHMT2DNMT3AEHMT1
SCHEMBL25361908 0.81 EHMT2 (0.65) NSD2EHMT2WHR1CCR4EHMT1
SCHEMBL30546992 0.77 NSD2 (0.70) NSD2EHMT2WHR1CCR4EHMT1

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 NSD2 95/4885EHMT2 4/4885WHR1 262/4885

“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.