SCHEMBL21486528

SCHEMBL21486528

COc1cc2nc(NCCN)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 16/20 0.81
KDM1A O60341 15/20 0.81
RCOR1 Q9UKL0 15/20 0.81
NSD2 O96028 3/20 0.78
HDAC1 Q13547 2/20 0.73
HDAC6 Q9UBN7 2/20 0.73
EHMT1 Q9H9B1 1/20 0.73
EZH2 Q15910 1/20 0.72
PRMT1 Q99873 1/20 0.72
KMT5A Q9NQR1 1/20 0.72
HDAC3 O15379 1/20 0.71
HDAC4 P56524 1/20 0.71
HDAC7 Q8WUI4 1/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC10 Q969S8 1/20 0.71
HDAC11 Q96DB2 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
HDAC9 Q9UKV0 1/20 0.71
HDAC5 Q9UQL6 1/20 0.71

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
SCHEMBL21486537 0.89 EHMT2 (0.71) EHMT2KDM1ARCOR1NSD2HDAC1
SCHEMBL15280227 0.88 EHMT2 (1.00) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL14941045 0.86 EHMT2 (0.88) EHMT2KDM1ARCOR1EHMT1EZH2
SCHEMBL31351258 0.86 EHMT2 (0.81) EHMT2KDM1ARCOR1NSD2HDAC1
SCHEMBL21486655 0.85 EHMT2 (0.81) EHMT2KDM1ARCOR1HDAC1HDAC6
SCHEMBL15280229 0.84 NSD2 (0.80) EHMT2KDM1ARCOR1NSD2EHMT1
SCHEMBL21486545 0.83 EHMT2 (1.00) EHMT2KDM1ARCOR1HDAC1HDAC6
SCHEMBL16383481 0.83 EHMT2 (0.93) EHMT2KDM1ARCOR1NSD2EHMT1
SCHEMBL21486565 0.82 WHR1 (0.79) EHMT2KDM1ARCOR1NSD2HDAC1
SCHEMBL15280407 0.81 EHMT2 (0.94) EHMT2KDM1ANSD2EHMT1EZH2

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 4/4885KDM1A 22/4885RCOR1 400/4885

“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.