SCHEMBL19934955

SCHEMBL19934955

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ P2RX7 Q99572 2/20 0.31
▸ GAA P10253 2/20 0.30
▸ MAPT P10636 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
SCHEMBL18744313 0.84 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18744450 0.79 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23399878 0.74 ALDH1A1 (0.36) CYP1A2CYP2C19MEN1KMT2AHSD17B10
SCHEMBL18744290 0.70 GAA (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18744293 0.70 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23402619 0.69 NPC1 (0.38) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL19390924 0.69 EZH2 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL18744484 0.66 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23398396 0.66 ALKBH3 (0.31) —
SCHEMBL18744287 0.65 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 CYP1A2 40/4885CYP3A4 19/4885CYP2D6 4/4885

“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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