Sugi Predict

Sugi Predict / Compounds / SCHEMBL6786789

SCHEMBL6786789

SCHEMBL6786789

CCOC(=O)C(=NNc1ccccc1)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.60
▸ LMNA P02545 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ MAPT P10636 6/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ KDR P35968 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KYAT1 Q16773 4/20 0.48
▸ ABCB1 P08183 1/20 0.47

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
SCHEMBL14668519 1.00 GAA (0.60) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL6786787 1.00 GAA (0.60) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL11390921 0.88 KYAT1 (0.58) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL11390894 0.88 KYAT1 (0.58) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL7888075 0.87 GAA (0.49) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL7888074 0.87 GAA (0.49) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL28351437 0.87 GAA (0.59) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL15047055 0.87 NPSR1 (0.48) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL15047081 0.87 NPSR1 (0.48) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL23348046 0.85 GAA (0.58) GAALMNAALDH1A1NPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620873-B Preparation method and application of zinc-containing binding group and quinoline skeleton compound 沈阳药科大学 2023-12-08 — — CN disclosed
CN-110684013-A 4-phenoxypyridine derivatives containing 3-pyridazinone, 4-pyridazinone and 1,2, 4-triazinone structures and application thereof 辽宁大学 2020-01-14 — — CN disclosed
US-20040067959-A1 Morphinoid derivatives as delta-opioid agonists and antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2004-04-08 — — US disclosed
US-20040019070-A1 Pyrrole-condensed morphinoid derivatives GLAXOSMITH KLINE S.P.A. (IT) 2004-01-29 — — US disclosed
EP-1326869-A1 PYRROLE-CONDENSED MORPHINOID DERIVATIVES GlaxoSmithKline S.p.A. (IT) 2003-07-16 — — EP disclosed
EP-1326868-A1 MORPHINOID DERIVATIVES AS DELTA-OPIOID AGONISTS AND ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2003-07-16 — — EP disclosed
EP-1054667-B1 BICYCLIC PYRROLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIINFLAMMATORY AND IMMUNOMODULATING AGENTS ASTRAZENECA UK LTD (GB) 2003-04-16 — — EP disclosed
WO-2002030935-A1 MORPHINOID DERIVATIVES AS DELTA-OPIOID AGONISTS AND ANTAGONISTS GLAXOSMITHKLINE S.P.A. (IT) 2002-04-18 — — WO disclosed
WO-2002030936-A1 PYRROLE-CONDENSED MORPHINOID DERIVATIVES GLAXOSMITHKLINE S.P.A. (IT) 2002-04-18 — — WO disclosed
EP-0712402-B1 HYDROISOQUINOLINE DERIVATIVES SMITHKLINE BEECHAM SPA (IT) 2002-04-10 — — EP disclosed
US-6291507-B1 INHIBITOR OF MONOCYTE CHEMOATTRACTANT PROTEIN-1; INDOLE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-09-18 — — US disclosed
EP-1054667-A1 BICYCLIC PYRROLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIINFLAMMATORY AND IMMUNOMODULATING AGENTS AstraZeneca UK Limited (GB) 2000-11-29 — — EP disclosed
WO-1999040913-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-08-19 — — WO disclosed
US-5731322-A ADMINISTERING AS ANALGESICS OR IMMUNOMODULATING AND/OR CARDIOVASCULAR AGENTS SMITHKLINE BEECHAM S.P.A. (IT) 1998-03-24 — — US disclosed
EP-0712402-A1 HYDROISOQUINOLINE DERIVATIVES Smithkline Beecham S.p.A. (IT) 1996-05-22 — — EP disclosed
WO-1995004734-A1 HYDROISOQUINOLINE DERIVATIVES SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-02-16 — — WO disclosed
US-4851425-A Cyclopentapyrazole and tetrahydroindazole compounds and their use as anti-inflammatory and anti-allergic agents THE UPJOHN COMPANY (US) 1989-07-25 — — US disclosed
WO-1986007357-A3 CYCLOPENTAPYRAZOLE AND TETRAHYDROINDAZOLE COMPOUNDS THE UPJOHN COMPANY (US) 1987-04-23 — — 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-20040019070-A1 Pyrrole-condensed morphinoid derivatives CORO1C, OPRD1, CORO1A GAA 4756/4885LMNA 2826/4885ALDH1A1 2326/4885
US-20040067959-A1 Morphinoid derivatives as delta-opioid agonists and antagonists OPRD1, OPRM1, OPRK1 GAA 4184/4885LMNA 4757/4885ALDH1A1 984/4885

“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.