SCHEMBL21486531

SCHEMBL21486531

CN1CCCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccc(O)cc3n2)CC1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 17/20 0.75
NSD2 O96028 3/20 0.75
NSD3 Q9BZ95 3/20 0.75
EHMT1 Q9H9B1 3/20 0.75
NPC1 O15118 1/20 0.75
KDM1A O60341 1/20 0.75
MTOR P42345 1/20 0.75
RAB9A P51151 1/20 0.75
EZH2 Q15910 1/20 0.69
DNMT3A Q9Y6K1 3/20 0.63

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
SCHEMBL14941331 0.90 EHMT2 (0.77) EHMT2NSD2NSD3EHMT1NPC1
SCHEMBL21486689 0.89 EHMT2 (0.74) EHMT2NSD2NSD3EHMT1NPC1
SCHEMBL18095973 0.88 DNMT3A (0.76) EHMT2NSD2NSD3EHMT1NPC1
SCHEMBL21499937 0.88 DNMT3A (0.81) EHMT2NSD2NSD3EHMT1NPC1
SCHEMBL17069895 0.88 EHMT2 (0.77) EHMT2NSD2NSD3EHMT1NPC1
SCHEMBL16521328 0.88 EHMT2 (0.80) EHMT2NSD2NSD3EHMT1NPC1
SCHEMBL14941385 0.86 EHMT2 (0.76) EHMT2NSD2NSD3EHMT1NPC1
SCHEMBL21593815 0.86 EHMT2 (0.88) EHMT2NSD2NSD3EHMT1NPC1
SCHEMBL366593 0.85 EHMT2 (1.00) EHMT2NSD2NSD3EHMT1NPC1
SCHEMBL29351415 0.85 EHMT2 (1.00) EHMT2NSD2NSD3EHMT1NPC1

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 4/4885NSD2 95/4885NSD3 33/4885

“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.