SCHEMBL18744290

SCHEMBL18744290

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GFER P55789 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ 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
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ EZH2 Q15910 1/20 0.32

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
SCHEMBL17792558 0.81 KDM4E (0.40) GAAKDM4EKMT2AGFERALDH1A1
SCHEMBL18744293 0.71 CYP1A2 (0.37) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL17625019 0.70 EZH2 (0.53) EZH2
SCHEMBL19934955 0.70 CYP1A2 (0.36) GAAKDM4EKMT2AALDH1A1HSD17B10
SCHEMBL18744450 0.68 CYP1A2 (0.35) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL18744484 0.67 CYP1A2 (0.36) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL21251330 0.66 EZH2 (0.51) EZH2
SCHEMBL19964708 0.65 EZH2 (0.49) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19934887 0.65 CYP1A2 (0.35) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL17792496 0.64 NPSR1 (0.33) KDM4EKMT2AALDH1A1HSD17B10CYP1A2

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 2 patents. 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
US-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 — — 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 GAA 449/4885KDM4E 1368/4885KMT2A 1509/4885

“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.

Send feedback