SCHEMBL28424447

SCHEMBL28424447

COc1cc2c(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc(N3CCCC3)nc2cc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 4/20 0.64
▸ TLR7 Q9NYK1 2/20 0.64
▸ EHMT2 Q96KQ7 13/20 0.64
▸ DNMT3A Q9Y6K1 2/20 0.57
▸ KMT5A Q9NQR1 1/20 0.55
▸ NSD2 O96028 2/20 0.52
▸ NSD3 Q9BZ95 2/20 0.52
▸ EHMT1 Q9H9B1 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ KDM1A O60341 1/20 0.52
▸ MTOR P42345 1/20 0.52
▸ RAB9A P51151 1/20 0.52

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
SCHEMBL28424449 1.00 TLR9 (0.64) TLR9TLR7EHMT2DNMT3AKMT5A
SCHEMBL20602870 0.91 EHMT2 (0.69) EHMT2DNMT3ANSD2NSD3EHMT1
SCHEMBL20602871 0.91 EHMT2 (0.69) EHMT2DNMT3ANSD2NSD3EHMT1
SCHEMBL20621265 0.91 KMT5A (0.62) EHMT2KMT5ANSD2EHMT1
SCHEMBL29453059 0.91 KMT5A (0.62) EHMT2KMT5ANSD2EHMT1
SCHEMBL22084192 0.88 KMT5A (0.55) EHMT2KMT5ANSD2EHMT1KDM1A
SCHEMBL29453051 0.88 KMT5A (0.55) EHMT2KMT5ANSD2EHMT1KDM1A
SCHEMBL20620934 0.88 KMT5A (0.55) EHMT2KMT5ANSD2EHMT1KDM1A
SCHEMBL22026561 0.85 KMT5A (0.55) TLR9EHMT2DNMT3AKMT5ANSD2
SCHEMBL22084004 0.84 EHMT2 (0.81) EHMT2DNMT3ANSD2NSD3EHMT1

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
CN-111432820-A Heterochromatin gene repression inhibitors 北卡罗来纳大学教堂山分校 2020-07-17 — — CN 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-11254654-B2 Heterochromatin gene repression inhibitors CTCF, EHMT2, CBX3 TLR9 4800/4885TLR7 4812/4885EHMT2 2/4885

“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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