SCHEMBL17792563

SCHEMBL17792563

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ SETDB1 Q15047 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
SCHEMBL17789050 0.86 ERCC1 (0.35) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL18744450 0.85 CYP1A2 (0.35) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL17792562 0.79 CYP1A2 (0.34) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL17792559 0.76 CYP1A2 (0.33) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL23401480 0.74 ALDH1A1 (0.35) ALDH1A1MAPTKDM4ECYP1A2CYP2C19
SCHEMBL23400823 0.73 KDM5A (0.33) —
SCHEMBL23403419 0.71 KDM4E (0.40) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL17792513 0.71 EED (0.32) ALDH1A1LMNAGAA
SCHEMBL17792499 0.71 ALDH1A1 (0.33) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL23399171 0.70 NPC1 (0.37) MAPTKDM4ECYP1A2MEN1GAA

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 ALDH1A1 552/4885MAPT 4252/4885KDM4E 1368/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR ALDH1A1 737/4885MAPT 4625/4885KDM4E 860/4885

“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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