SCHEMBL21486538

SCHEMBL21486538

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 3/20 0.74
EHMT2 Q96KQ7 10/20 0.62
HDAC3 O15379 4/20 0.62
HDAC4 P56524 4/20 0.62
HDAC1 Q13547 4/20 0.62
HDAC7 Q8WUI4 4/20 0.62
HDAC2 Q92769 4/20 0.62
HDAC10 Q969S8 4/20 0.62
HDAC11 Q96DB2 4/20 0.62
HDAC8 Q9BY41 4/20 0.62
HDAC6 Q9UBN7 4/20 0.62
HDAC9 Q9UKV0 4/20 0.62
HDAC5 Q9UQL6 4/20 0.62
EHMT1 Q9H9B1 2/20 0.62
NSD2 O96028 7/20 0.61
KDM1A O60341 1/20 0.58
RCOR1 Q9UKL0 1/20 0.58
EZH2 Q15910 1/20 0.57
NSD3 Q9BZ95 1/20 0.57
LMNA P02545 1/20 0.56

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
SCHEMBL15280229 0.87 NSD2 (0.80) DNMT3AEHMT2EHMT1NSD2KDM1A
SCHEMBL15280230 0.85 LMNA (0.74) DNMT3AEHMT2NSD2KDM1ALMNA
SCHEMBL21486537 0.84 EHMT2 (0.71) DNMT3AEHMT2HDAC3HDAC4HDAC1
SCHEMBL25363177 0.83 NSD2 (0.69) DNMT3AEHMT2EHMT1NSD2KDM1A
SCHEMBL21499937 0.82 DNMT3A (0.81) DNMT3AEHMT2EHMT1NSD2KDM1A
SCHEMBL15280265 0.82 EHMT2 (0.77) DNMT3AEHMT2EHMT1NSD2KDM1A
SCHEMBL21486543 0.81 NSD2 (0.73) DNMT3AEHMT2EHMT1NSD2
SCHEMBL31016435 0.81 NSD2 (0.73) DNMT3AEHMT2EHMT1NSD2
SCHEMBL15280243 0.81 EHMT2 (0.75) DNMT3AEHMT2EHMT1NSD2KDM1A
SCHEMBL4130246 0.81 DNMT3A (0.62) DNMT3AEHMT2HDAC3HDAC4HDAC1

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 DNMT3A 85/4885EHMT2 4/4885HDAC3 17/4885

“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.