Sugi Predict

Sugi Predict / Compounds / SCHEMBL98338

SCHEMBL98338

SCHEMBL98338

CC(=O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAOB P27338 2/20 0.47
▸ CA9 Q16790 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ SGMS2 Q8NHU3 1/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ FOLH1 Q04609 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL29498305 1.00 MAPT (0.54) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL9565258 0.88 SMN1; SMN2 (0.42) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL97964 0.87 MMP1 (0.44) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL28694265 0.87 MAPT (0.43) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL99439 0.85 HPGDS (0.44) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL867483 0.85 SMN1; SMN2 (0.41) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL18993738 0.85 SMN1; SMN2 (0.41) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL1205431 0.85 SMN1; SMN2 (0.41) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL18993737 0.85 SMN1; SMN2 (0.41) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL17513854 0.84 ADRB2 (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726778-B2 — — 2011-07-20 — — JP claimed
EP-1613599-B8 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES NOVARTIS AG (CH) 2011-06-22 — — EP claimed
EP-1613599-B1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES NOVARTIS AG (CH) 2010-12-15 — — EP claimed
US-7605267-B2 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones NOVARTIS AG (CH) 2009-10-20 — — US claimed
JP-2006522055-A — — 2006-09-28 — — JP claimed
US-20060189653-A1 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones NOVARTIS AG (CH) 2006-08-24 — — US claimed
EP-1613599-A1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES Novartis AG (CH) 2006-01-11 — — EP claimed
WO-2004087668-A1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES NOVARTIS AG (CH) 2004-10-14 — — WO claimed
US-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure BEIJING SHOWBY PHARMACEUTICAL CO., LTD. (CN) 2022-09-20 — — US disclosed
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 — — EP disclosed
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 — — CN disclosed
CN-113544121-A Heterocyclic derivative with beta 2 receptor agonistic and M receptor antagonistic activities and medical application thereof 中国医药研究开发中心有限公司 2021-10-22 — — CN disclosed
EP-3383867-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2021-04-14 — — EP disclosed
EP-3383867-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2021-04-14 — — EP disclosed
EP-0750617-A1 NOVEL HETEROCYCLIC ETHANOLAMINE DERIVATIVES WITH BETA-ADRENORECEPTOR AGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-01-02 — — EP disclosed
WO-1995025104-A1 NOVEL HETEROCYCLIC ETHANOLAMINE DERIVATIVES WITH BETA-ADRENORECEPTOR AGONISTIC ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 1995-09-21 — — WO disclosed
US-RE33024-E Bronchodilating 8-hydroxy-5-(1R)-1-hydroxy-2-(N-((1R)-2-(p-methoxyphenyl)-1-methylethyl)-amino)ethyl) carbostyril and intermediates thereof TANABE SEIYAKU CO. LTD. (JP) 1989-08-15 — — US disclosed
EP-0147719-B1 NOVEL CARBOSTYRIL DERIVATIVE AND PROCESS FOR PREPARING SAME Tanabe Seiyaku Co., Ltd. (JP) 1989-07-26 — — EP disclosed
US-4579854-A ADRENERGIC STIMULANTS TANABE SEIYAKU CO., LTD. (JP) 1986-04-01 — — US disclosed
EP-0147719-A2 Novel carbostyril derivative and process for preparing same Tanabe Seiyaku Co., Ltd. (JP) 1985-07-10 — — EP 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-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure AGTR2, AGTR1, ADRB2 MAPT 2074/4885CYP2C9 2278/4885CYP2C19 2377/4885
US-20060189653-A1 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones UGT8, KAT8, UGT1A8 MAPT 4715/4885CYP2C9 579/4885CYP2C19 1494/4885

“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.