SCHEMBL29453051

SCHEMBL29453051

C#CCOc1cc2nc(N3CCCC3)nc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT5A Q9NQR1 1/20 0.55
▸ NSD2 O96028 1/20 0.53
▸ EHMT2 Q96KQ7 12/20 0.52
▸ EHMT1 Q9H9B1 3/20 0.51
▸ CCR4 P51679 5/20 0.49
▸ WHR1 P49842 1/20 0.49
▸ KDM1A O60341 1/20 0.48
▸ RCOR1 Q9UKL0 1/20 0.48

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
SCHEMBL22084192 1.00 KMT5A (0.55) KMT5ANSD2EHMT2EHMT1CCR4
SCHEMBL20620934 1.00 KMT5A (0.55) KMT5ANSD2EHMT2EHMT1CCR4
SCHEMBL20621265 0.92 KMT5A (0.62) KMT5ANSD2EHMT2EHMT1CCR4
SCHEMBL29453059 0.92 KMT5A (0.62) KMT5ANSD2EHMT2EHMT1CCR4
SCHEMBL22026560 0.90 EHMT2 (0.58) EHMT2EHMT1CCR4WHR1
SCHEMBL20602882 0.90 EHMT2 (0.58) EHMT2EHMT1CCR4WHR1
SCHEMBL20620893 0.90 NSD2 (0.54) KMT5ANSD2EHMT2WHR1KDM1A
SCHEMBL20620895 0.90 NSD2 (0.54) KMT5ANSD2EHMT2WHR1KDM1A
SCHEMBL28424447 0.88 TLR9 (0.64) KMT5ANSD2EHMT2EHMT1KDM1A
SCHEMBL28424449 0.88 TLR9 (0.64) KMT5ANSD2EHMT2EHMT1KDM1A

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-11254654-B2 Heterochromatin gene repression inhibitors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-02-22 — — 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-11254654-B2 Heterochromatin gene repression inhibitors CTCF, EHMT2, CBX3 KMT5A 194/4885NSD2 163/4885EHMT2 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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