SCHEMBL17792539

SCHEMBL17792539

CC(=O)NCc1c(C)n(CCN2CCCC2)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DAO P14920 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ HTR2A P28223 3/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ HTR2B P41595 3/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ P2RX7 Q99572 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ OPRK1 P41145 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
SCHEMBL17792512 0.90 DAO (0.47) KMT2AMEN1L3MBTL1DAO
SCHEMBL17789037 0.86 DRD4 (0.34) KMT2AMEN1DAONPSR1
SCHEMBL18743904 0.83 DAO (0.32) KMT2AMEN1DAO
SCHEMBL17792537 0.79 EZH2 (0.35) KMT2ANPSR1MAPT
SCHEMBL17792560 0.78 EZH2 (0.32) KMT2AMEN1NPC1
SCHEMBL17789035 0.77 DAO (0.44) KMT2AMEN1DAO
SCHEMBL17792510 0.76 EZH2 (0.36) —
SCHEMBL17792509 0.75 CYP1A2 (0.34) KMT2ADAONPSR1MAPTTP53
SCHEMBL19390962 0.75 EZH2 (0.37) NPSR1PARP1MAPT
SCHEMBL17792575 0.75 KDM4E (0.36) CYP2D6L3MBTL1NPSR1NPC1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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 KMT2A 1509/4885MEN1 1574/4885CYP2D6 4/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR KMT2A 1281/4885MEN1 3109/4885CYP2D6 7/4885

“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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