SCHEMBL17792532

SCHEMBL17792532

CCc1[nH]n(C)c(=O)c1CNC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MT-CO1 P00395 1/20 0.32
▸ MT-CO2 P00403 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ BPTF Q12830 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL17789016 0.83 ERCC1 (0.34) CYP1A2CYP3A4CYP2C19MT-CO1MT-CO2
SCHEMBL17792562 0.80 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL23401585 0.77 MEN1 (0.33) CYP1A2CYP2C19ALDH1A1ALOX5KMT2A
SCHEMBL17792538 0.76 MTNR1A (0.33) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL17792505 0.75 LMNA (0.38) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL17792491 0.74 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL17792533 0.72 KDM4E (0.48) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL23399703 0.72 POLB (0.33) KMT2A
SCHEMBL17792496 0.71 NPSR1 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL19390928 0.71 ALOX5 (0.40) MT-CO2ALOX5KMT2A

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 CYP1A2 40/4885CYP3A4 19/4885CYP2C9 41/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR CYP1A2 56/4885CYP3A4 28/4885CYP2C9 60/4885

“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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