SCHEMBL21486537

SCHEMBL21486537

COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCN)nc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 17/20 0.71
HDAC1 Q13547 5/20 0.71
HDAC6 Q9UBN7 5/20 0.71
HDAC3 O15379 4/20 0.71
HDAC4 P56524 4/20 0.71
HDAC7 Q8WUI4 4/20 0.71
HDAC2 Q92769 4/20 0.71
HDAC10 Q969S8 4/20 0.71
HDAC11 Q96DB2 4/20 0.71
HDAC8 Q9BY41 4/20 0.71
HDAC9 Q9UKV0 4/20 0.71
HDAC5 Q9UQL6 4/20 0.71
EHMT1 Q9H9B1 2/20 0.71
DNMT3A Q9Y6K1 1/20 0.66
KDM1A O60341 13/20 0.65
RCOR1 Q9UKL0 12/20 0.65
NSD2 O96028 1/20 0.61
EZH2 Q15910 1/20 0.60
PRMT1 Q99873 1/20 0.60
KMT5A Q9NQR1 1/20 0.60

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
SCHEMBL21486528 0.89 EHMT2 (0.81) EHMT2HDAC1HDAC6HDAC3HDAC4
SCHEMBL21486534 0.86 EHMT2 (0.68) EHMT2HDAC1HDAC6HDAC3HDAC4
SCHEMBL21499929 0.86 EHMT2 (0.83) EHMT2HDAC1HDAC6HDAC3HDAC4
SCHEMBL21486538 0.84 DNMT3A (0.74) EHMT2HDAC1HDAC6HDAC3HDAC4
SCHEMBL21486577 0.83 EHMT2 (0.97) EHMT2HDAC1HDAC6HDAC3HDAC4
SCHEMBL21486685 0.83 HDAC1 (1.00) EHMT2HDAC1HDAC6HDAC3HDAC4
SCHEMBL21486544 0.83 HDAC1 (1.00) EHMT2HDAC1HDAC6HDAC3HDAC4
SCHEMBL15280227 0.79 EHMT2 (1.00) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL14941045 0.78 EHMT2 (0.88) EHMT2EHMT1KDM1ARCOR1EZH2
SCHEMBL14940889 0.77 EHMT2 (0.77) EHMT2HDAC1HDAC6HDAC3HDAC4

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.