SCHEMBL17792511

SCHEMBL17792511

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MTNR1A P48039 3/20 0.32
▸ MTNR1B P49286 3/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL17789028 0.85 KDM4E (0.36) TP53HSD17B10MTNR1AMTNR1BKDM4E
SCHEMBL17792494 0.82 TP53 (0.33) TP53HSD17B10MTNR1AMTNR1BCYP1A2
SCHEMBL17792537 0.80 EZH2 (0.35) HSD17B10CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17792560 0.71 EZH2 (0.32) HSD17B10MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL17792559 0.71 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL17792491 0.68 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17792538 0.67 MTNR1A (0.33) TP53HSD17B10MTNR1AMTNR1BCYP1A2
SCHEMBL17792542 0.67 CYP1A2 (0.32) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL17792574 0.67 CYP1A2 (0.30) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17792510 0.66 EZH2 (0.36) —

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 TP53 39/4885HSD17B10 393/4885MTNR1A 1946/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR TP53 25/4885HSD17B10 951/4885MTNR1A 2252/4885

“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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