SCHEMBL17789027

SCHEMBL17789027

COc1c(CNC(=O)C(C)(C)C)c(=O)[nH]n1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33
▸ DRD4 P21917 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18743903 0.84 — —
SCHEMBL17792494 0.84 TP53 (0.33) HSD17B10SMN1; SMN2
SCHEMBL16397494 0.83 KDM4E (0.43) ALDH1A1KDM4EHSD17B10DRD2L3MBTL1
SCHEMBL17789055 0.74 BRPF1 (0.38) ALDH1A1SMN1; SMN2MAPTHDAC6DRD4
SCHEMBL17789026 0.73 HDAC6 (0.33) ALDH1A1KDM4EHSD17B10TSHRSMN1; SMN2
SCHEMBL25587412 0.72 MAPT (0.37) ALDH1A1KDM4EHSD17B10TSHRSMN1; SMN2
SCHEMBL17789034 0.72 DRD4 (0.32) ALDH1A1MAPTDRD4DRD2
SCHEMBL17789058 0.71 SHMT2 (0.40) ALDH1A1KDM4ESMN1; SMN2MAPTHDAC6
SCHEMBL18743918 0.71 MAPT (0.33) ALDH1A1KDM4EMAPTDRD4DRD2
SCHEMBL28886428 0.70 DAO (0.33) —

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 ALDH1A1 552/4885KDM4E 1368/4885HSD17B10 393/4885
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 ALDH1A1 552/4885KDM4E 1368/4885HSD17B10 393/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR ALDH1A1 737/4885KDM4E 860/4885HSD17B10 951/4885
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR ALDH1A1 737/4885KDM4E 860/4885HSD17B10 951/4885

“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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