SCHEMBL17789062

SCHEMBL17789062

CC(C)C(=O)NCc1c(N2CCCCC2)n(C)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ EZH2 Q15910 3/20 0.32
▸ LIPG Q9Y5X9 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ ERCC1 P07992 1/20 0.31
▸ ERCC4 Q92889 1/20 0.31
▸ BRPF1 P55201 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ MMP13 P45452 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
SCHEMBL18743913 0.86 — —
SCHEMBL17792545 0.85 ALDH1A1 (0.39) ALDH1A1MAPTNPSR1SMN1; SMN2KDM4E
SCHEMBL17792544 0.84 ALDH1A1 (0.36) ALDH1A1MAPTNPSR1SMN1; SMN2KDM4E
SCHEMBL18743935 0.77 BRPF1 (0.30) BRPF1
SCHEMBL17789014 0.76 TSHR (0.37) ALDH1A1MAPTKDM4EEZH2ERCC1
SCHEMBL17789017 0.74 ERCC1 (0.34) ALDH1A1MAPTKDM4EERCC1ERCC4
SCHEMBL17789049 0.73 ERCC1 (0.33) ALDH1A1MAPTKDM4EERCC1ERCC4
SCHEMBL17789024 0.73 DHODH (0.35) ALDH1A1MAPTNPSR1SMN1; SMN2KDM4E
SCHEMBL19390778 0.72 EZH2 (0.41) EZH2
SCHEMBL17789020 0.71 ERCC1 (0.33) ERCC1ERCC4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 552/4885MAPT 4252/4885NPSR1 1524/4885
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 552/4885MAPT 4252/4885NPSR1 1524/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR ALDH1A1 737/4885MAPT 4625/4885NPSR1 2255/4885

“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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