Sugi Predict

Sugi Predict / Compounds / SCHEMBL473556

SCHEMBL473556

SCHEMBL473556

O=c1[nH]c(=O)c2occc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ TYMP P19971 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ DAO P14920 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ AURKA O14965 2/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ DBF4 Q9UBU7 1/20 0.32
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31

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
Piperidine SCHEMBL10566511 0.86 KDM4E (0.33) KDM4ECA12CA9PARP1
SCHEMBL17077094 0.73 DAO (0.35) ALDH1A1DAO
SCHEMBL17109159 0.69 PARP1 (0.53) KDM4ECA12CA9PARP1ALDH1A1
SCHEMBL30435106 0.69 AURKA (0.36) KDM4ECA12CA9PARP1PDE3B
SCHEMBL1980989 0.68 MAOA (0.39) KDM4EPDE3BPDE3AGAA
SCHEMBL7835687 0.67 KDM4E (0.43) KDM4ECA12CA9PARP1TYMP
SCHEMBL21553818 0.65 AURKA (0.44) KDM4ECA12CA9PARP1TYMP
SCHEMBL16836536 0.64 PARP1 (0.57) KDM4ECA12CA9PARP1ALDH1A1
SCHEMBL30273101 0.64 PARP1 (0.57) KDM4ECA12CA9PARP1ALDH1A1
SCHEMBL5065184 0.64 ADORA2A (0.34) KDM4EALDH1A1HPGDGSK3BAURKA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006014647-A2 CYCLIC N-HYDROXY IMIDES AS INHIBITORS OF FLAP ENDONUCLEASE AND USES THEREOF ATHERSYS, INC. (US) 2006-02-09 — — WO claimed
CN-113045582-B PARP-1/PI3K double-target inhibitor or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国药科大学 2022-12-23 — — CN disclosed
EP-2411395-B1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 — — EP disclosed
US-20120178766-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-07-12 — — US disclosed
US-20120178766-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-07-12 — — US disclosed
CN-102361874-A Furopyrimidinedione derivatives as trpa1 modulators GLENMARK PHARMACEUTICALS SA 2012-02-22 — — CN disclosed
CN-102361874-A Furopyrimidinedione derivatives as trpa1 modulators GLENMARK PHARMACEUTICALS SA 2012-02-22 — — CN disclosed
EP-2411395-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 — — EP disclosed
EP-2411395-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 — — EP disclosed
WO-2010109329-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 — — WO disclosed
WO-2006076102-A2 FLUORESCENT NUCLEOSIDE ANALOGS THAT MIMIC NATURALLY OCCURRING NUCLEOSIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-07-20 — — WO disclosed
WO-2006014647-A2 CYCLIC N-HYDROXY IMIDES AS INHIBITORS OF FLAP ENDONUCLEASE AND USES THEREOF ATHERSYS, INC. (US) 2006-02-09 — — WO disclosed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 — — EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 — — US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 — — WO disclosed
US-6413724-B1 SCREENING FOR DRUGS THAT MODULATE ENZYMES OR BIOLOGICAL RECEPTORS VERSICOR, INC. 2002-07-02 — — US disclosed
US-6025371-A Solid phase and combinatorial library syntheses of fused 2,4-pyrimidinediones VERSICOR, INC. (US) 2000-02-15 — — US disclosed
WO-1998018781-A9 FUSED 2,4-PYRIMIDINEDIONE COMBINATORIAL LIBRARIES, THEIR PREPARATION AND THE USE OF FUSED 2,4-PYRIMIDINEDIONES DERIVATIVES AS ANTIMICROBIAL AGENTS — 1998-08-20 — — WO disclosed
WO-1998018781-A2 FUSED 2,4-PYRIMIDINEDIONE COMBINATORIAL LIBRARIES, THEIR PREPARATION AND THE USE OF FUSED 2,4-PYRIMIDINEDIONES DERIVATIVES AS ANTIMICROBIAL AGENTS VERSICOR, INC. (US) 1998-05-07 — — WO disclosed
US-4703120-A VASODILATORS, HYPOTENSIVE AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1987-10-27 — — 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 KDM4E 1577/4885CA12 804/4885CA9 380/4885
US-20120178766-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 KDM4E 4664/4885CA12 4877/4885CA9 4757/4885

“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.