SCHEMBL17789028

SCHEMBL17789028

CCn1[nH]c(=O)c(CNC(=O)C(C)C)c1OC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK8 P45983 1/20 0.33
▸ ERCC1 P07992 1/20 0.32
▸ ERCC4 Q92889 1/20 0.32
▸ PTGES O14684 2/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31

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
SCHEMBL17789030 0.73 ERCC1 (0.34) KDM4EHSD17B10TSHRALDH1A1TP53
SCHEMBL17789017 0.70 ERCC1 (0.34) KDM4EHSD17B10TSHRALDH1A1TP53
SCHEMBL17789014 0.70 TSHR (0.37) KDM4EHSD17B10TSHRALDH1A1TP53
SCHEMBL17789029 0.69 TSHR (0.35) KDM4EHSD17B10TSHRALDH1A1TP53
SCHEMBL17789049 0.69 ERCC1 (0.33) KDM4EHSD17B10TSHRALDH1A1TP53
SCHEMBL17792494 0.67 TP53 (0.33) HSD17B10TP53MTNR1AMTNR1B
SCHEMBL17789067 0.67 ERCC1 (0.33) KDM4EHSD17B10TSHRALDH1A1MAPT
SCHEMBL17792537 0.65 EZH2 (0.35) KDM4EHSD17B10ALDH1A1MAPTALOX15
SCHEMBL17789018 0.65 ERCC1 (0.36) KDM4EHSD17B10TSHRALDH1A1TP53
SCHEMBL22674300 0.65 EZH2 (0.50) KDM4EHSD17B10TSHRALDH1A1TP53

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-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-11-19 — — US disclosed
US-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-03-08 — — US disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 — — US disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 — — US disclosed
US-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 — — US disclosed
US-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 — — US disclosed
US-20160152604-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-06-02 — — 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 (4 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-20160152604-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, PAICS KDM4E 1368/4885HSD17B10 393/4885TSHR 4392/4885
US-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, PAICS KDM4E 1368/4885HSD17B10 393/4885TSHR 4392/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR KDM4E 860/4885HSD17B10 951/4885TSHR 4488/4885
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR KDM4E 860/4885HSD17B10 951/4885TSHR 4488/4885

“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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