SCHEMBL22026561

SCHEMBL22026561

COc1cc2c(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc(N3CCCC3)nc2cc1O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT5A Q9NQR1 1/20 0.55
▸ EHMT2 Q96KQ7 10/20 0.53
▸ CCR4 P51679 5/20 0.53
▸ EHMT1 Q9H9B1 4/20 0.53
▸ NSD2 O96028 1/20 0.52
▸ WHR1 P49842 1/20 0.51
▸ TLR9 Q9NR96 1/20 0.50
▸ DNMT3A Q9Y6K1 1/20 0.49

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
SCHEMBL20621265 0.94 KMT5A (0.62) KMT5AEHMT2CCR4EHMT1NSD2
SCHEMBL29453059 0.94 KMT5A (0.62) KMT5AEHMT2CCR4EHMT1NSD2
SCHEMBL22026551 0.89 EHMT2 (0.58) EHMT2CCR4EHMT1WHR1DNMT3A
SCHEMBL22026549 0.89 EHMT2 (0.58) EHMT2CCR4EHMT1WHR1DNMT3A
SCHEMBL20620894 0.88 NSD2 (0.53) KMT5AEHMT2NSD2WHR1TLR9
SCHEMBL20620897 0.88 NSD2 (0.53) KMT5AEHMT2NSD2WHR1TLR9
SCHEMBL20620934 0.86 KMT5A (0.55) KMT5AEHMT2CCR4EHMT1NSD2
SCHEMBL22084192 0.86 KMT5A (0.55) KMT5AEHMT2CCR4EHMT1NSD2
SCHEMBL29453051 0.86 KMT5A (0.55) KMT5AEHMT2CCR4EHMT1NSD2
SCHEMBL28424449 0.85 TLR9 (0.64) KMT5AEHMT2EHMT1NSD2TLR9

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-11254654-B2 Heterochromatin gene repression inhibitors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-02-22 — — US disclosed
US-20200181116-A1 HETEROCHROMATIN GENE REPRESSION INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2020-06-11 — — 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 (2 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-11254654-B2 Heterochromatin gene repression inhibitors CTCF, EHMT2, CBX3 KMT5A 194/4885EHMT2 2/4885CCR4 4346/4885
US-20200181116-A1 HETEROCHROMATIN GENE REPRESSION INHIBITORS CTCF, EHMT2, CBX3 KMT5A 194/4885EHMT2 2/4885CCR4 4346/4885

“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.

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