SCHEMBL20028827

SCHEMBL20028827

COc1cc(C2(C#N)CCOC2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE4B Q07343 11/20 0.41
PDE4A P27815 10/20 0.41
PDE4C Q08493 10/20 0.41
PDE4D Q08499 10/20 0.41
EGFR P00533 1/20 0.39
MAOB P27338 1/20 0.38
SHBG P04278 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL20028646 0.92 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10L3MBTL1PDE4B
SCHEMBL20028828 0.78 PDE4B (0.44) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL20028829 0.77 SMN1; SMN2 (0.45) ALDH1A1KDM4EHSD17B10PDE4BMEN1
SCHEMBL9216511 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10L3MBTL1MAOB
SCHEMBL332555 0.73 PDE4A (0.45) ALDH1A1KDM4EPDE4BPDE4APDE4C
SCHEMBL16730939 0.73 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL25933959 0.72 OPRM1 (0.53) ALDH1A1
SCHEMBL19343553 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10MEN1NPC1
SCHEMBL19330949 0.72 PDE4A (0.38) ALDH1A1KDM4EPDE4BPDE4APDE4C
SCHEMBL31525333 0.71 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4105203-A1 SPIRO-CONDENSED INDOLE COMPOUNDS AS EHMT2 INHIBITORS Epizyme Inc (US) 2022-12-21 EP disclosed
US-20220274961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. 2022-09-01 US disclosed
EP-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed
EP-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed
US-20200039961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. 2020-02-06 US disclosed
US-20200039961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. 2020-02-06 US disclosed
EP-3519393-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme Inc (US) 2019-08-07 EP disclosed
WO-2018064557-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. (US) 2018-04-05 WO disclosed
WO-2018064557-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. (US) 2018-04-05 WO 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-20200039961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS SHMT1, BHMT, EHMT2 ALDH1A1 282/4885KDM4E 292/4885HSD17B10 547/4885
US-20220274961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS SHMT1, BHMT, EHMT2 ALDH1A1 282/4885KDM4E 292/4885HSD17B10 547/4885

“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.