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Sugi Predict / Compounds / SCHEMBL16129058

SCHEMBL16129058

SCHEMBL16129058

CC(C)(C)c1ccc(NC(=O)CCC2CC(=O)C2)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ AAK1 Q2M2I8 2/20 0.39
▸ LDLR P01130 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.38
▸ HPGD P15428 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 5/20 0.37

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
SCHEMBL20152234 0.84 NPC1 (0.41) NPC1HTTGAAPKMLDLR
SCHEMBL16093872 0.82 ALDH1A1 (0.54) NPC1HTTPKMALDH1A1HPGD
SCHEMBL26226478 0.81 NPC1 (0.39) HDAC3HDAC1NPC1HTTGAA
SCHEMBL20148271 0.78 ANO1 (0.40) GAAPKMALDH1A1MEN1KMT2A
SCHEMBL5491533 0.75 ALDH1A1 (0.49) HDAC3HDAC1NPC1HTTGAA
SCHEMBL23776379 0.75 GAA (0.39) HDAC3HDAC1NPC1HTTGAA
SCHEMBL26607445 0.74 NPC1 (0.51) HDAC3HDAC1NPC1GAAPKM
SCHEMBL9104109 0.72 HDAC1 (0.37) HDAC3HDAC1NPC1HTTGAA
SCHEMBL5495163 0.72 RAD52 (0.60) NPC1PKMALDH1A1HPGDRAB9A
SCHEMBL26607478 0.72 MAPT (0.50) HDAC3HDAC1NPC1HTTGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753433-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2023-09-12 — — US disclosed
US-11753433-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2023-09-12 — — US disclosed
US-20210363171-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2021-11-25 — — US disclosed
US-9738679-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2017-08-22 — — US disclosed
US-9738679-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2017-08-22 — — US disclosed
US-20160024134-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2016-01-28 — — US disclosed
WO-2014152566-A2 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. (US) 2014-09-25 — — WO 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 (3 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-20160024134-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS DOT1L, MECP2, TDP1 HDAC3 2135/4885HDAC1 1493/4885NPC1 2258/4885
US-20210363171-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS DOT1L, MECP2, TDP1 HDAC3 2135/4885HDAC1 1493/4885NPC1 2258/4885
US-11753433-B2 Methods of synthesizing substituted purine compounds DOT1L, MECP2, TDP1 HDAC3 2135/4885HDAC1 1493/4885NPC1 2258/4885

“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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