SCHEMBL99439

SCHEMBL99439

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
FOLH1 Q04609 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SRD5A2 P31213 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
PIK3CG P48736 1/20 0.38
SGMS2 Q8NHU3 2/20 0.37
MGLL Q99685 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
SCHEMBL25666154 0.88 MMP1 (0.39) HPGDSL3MBTL1MAPTALDH1A1MMP1
SCHEMBL25666179 0.88 HPGDS (0.40) HPGDSL3MBTL1SMN1; SMN2MAPTTDP1
SCHEMBL18993738 0.88 SMN1; SMN2 (0.41) FOLH1L3MBTL1SMN1; SMN2MAPTTDP1
SCHEMBL867483 0.88 SMN1; SMN2 (0.41) FOLH1L3MBTL1SMN1; SMN2MAPTTDP1
SCHEMBL18993737 0.88 SMN1; SMN2 (0.41) FOLH1L3MBTL1SMN1; SMN2MAPTTDP1
SCHEMBL28694265 0.87 MAPT (0.43) FOLH1L3MBTL1SMN1; SMN2MAPTTDP1
SCHEMBL25666189 0.87 MMP1 (0.45) MAPTCYP2C9CYP2C19MMP1MMP2
SCHEMBL102846 0.86 HPGDS (0.43) HPGDSSMN1; SMN2MAPTALDH1A1POLB
SCHEMBL9565258 0.85 SMN1; SMN2 (0.42) FOLH1L3MBTL1SMN1; SMN2MAPTTDP1
SCHEMBL29498305 0.85 MAPT (0.54) FOLH1L3MBTL1SMN1; SMN2MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521254-B Indanterol derivative and preparation method and application thereof 中国药科大学 2024-05-31 CN disclosed
CN-116555205-A Asymmetric reduction method of carbonyl by using carbonyl reductase and mutant thereof 上海合全药业股份有限公司 2023-08-08 CN disclosed
CN-115925623-A Small molecule inhibitor and preparation method and application thereof 中国药科大学 2023-04-07 CN disclosed
CN-115636784-A LYW-1 derivative and preparation method and application thereof 中国药科大学 2023-01-24 CN disclosed
CN-115521254-A Indanterol derivative and preparation method and application thereof 中国药科大学 2022-12-27 CN disclosed
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
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
WO-2004089892-A2 DIARYLMETHYL AND RELATED COMPOUNDS HAVING BETA2 ANDRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2004-10-21 WO disclosed
WO-2004074812-A2 LIBRARY OF BIPHENYL DERIVATIVES USEFUL FOR IDENTIFYING COMPOUNDS HAVING BOTH BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC (US) 2004-09-02 WO disclosed
WO-2004074276-A1 BIPHENYL DERIVATIVES HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO disclosed
WO-2004074246-A2 BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO disclosed
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma THERAVANCE BIOPHARMA R&D IP, LLC 2004-08-26 US disclosed
WO-2004016578-A2 ARYLETHANOLAMINE BETA2-ADRENORECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-02-26 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 HPGDS 4395/4885FOLH1 4440/4885L3MBTL1 3971/4885
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma ADRB1, ADRB2, ADRA2B HPGDS 3030/4885FOLH1 3130/4885L3MBTL1 2462/4885

“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.