SCHEMBL628989

SCHEMBL628989

COc1ccc(OC)c(C(=O)CBr)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD11B1 P28845 1/20 0.57
GSK3B P49841 1/20 0.56
HPGDS O60760 1/20 0.55
TSHR P16473 4/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 4/20 0.54
POLB P06746 2/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL30016497 1.00 HTT (0.60) HTTMAPTMEN1KMT2ANPSR1
SCHEMBL624930 0.86 SMN1; SMN2 (0.61) HTTMAPTMEN1KMT2AGSK3B
SCHEMBL29799615 0.86 SMN1; SMN2 (0.61) HTTMAPTMEN1KMT2AGSK3B
SCHEMBL16809415 0.85 MEN1 (0.49) HTTMAPTMEN1KMT2ANPSR1
SCHEMBL1415307 0.85 HPGDS (0.48) HTTMAPTMEN1KMT2ANPSR1
SCHEMBL563749 0.85 GSK3B (0.59) HTTMAPTMEN1KMT2ANPSR1
SCHEMBL2096737 0.84 HPGDS (0.57) HTTMAPTMEN1KMT2ANPSR1
SCHEMBL29514451 0.84 HTT (0.62) HTTMAPTMEN1KMT2ANPSR1
SCHEMBL5743965 0.84 HTT (0.62) HTTMAPTMEN1KMT2ANPSR1
SCHEMBL3610282 0.84 HTT (0.62) HTTMAPTMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745812-A Preparation method of 2-amino-1- (2,5-dimethoxyphenyl) ethanol 成都沣德煜晟医药科技有限公司 2023-03-07 CN claimed
US-20140235863-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-21 US claimed
US-8703194-B2 Stimulus-responsive biodegradable polymers and methods of preparation AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-04-22 US claimed
US-8658209-B2 2014-02-25 US claimed
US-20090123544-A1 STIMULUS-RESPONSIVE BIODEGRADABLE POLYMERS AND METHODS OF PREPARATION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2009-05-14 US claimed
US-7094928-B2 Process for the synthesis of (±) 2-Amino-N-[2,(2,5-dimethoxy phenyl)-2-hydroxyethyl] acetamide monohydrochloride SANMAR SPECIALTY CHEMICALS LTD. (IN) 2006-08-22 US claimed
EP-1465860-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF ( ) 2-AMINO-N-[2,(S,5-DIMETHOXYPHENYL)-2-HYDROXYETHYL] ACETAMIDE MONOHYDROCHLORIDE Sanmar Speciality Chemicals Ltd (IN) 2004-10-13 EP claimed
EP-1465860-A4 AN IMPROVED PROCESS FOR THE SYNTHESIS OF ( ) 2-AMINO-N-[2,(S,5-DIMETHOXYPHENYL)-2-HYDROXYETHYL] ACETAMIDE MONOHYDROCHLORIDE SANMAR SPECIALITY CHEMICALS LT (IN) 2004-10-13 EP claimed
US-20040198836-A1 Process for the synthesis of (+) 2-amino-n-{2, (2,5-dimethoxy phenyl)-2-hydroxyethyl} acetamide monohydrochloride SANMAR SPECIALTY CHEMICALS LTD. (IN) 2004-10-07 US claimed
WO-2004018409-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF (±) 2-AMINO-N-[2,(S,5-DIMETHOXYPHENYL)-2-HYDROXYETHYL] ACETAMIDE MONOHYDROCHLORIDE SANMAR SPECIALITY CHEMICALS LTD (IN) 2004-03-04 WO claimed
CN-1013444-B PROCESS FOR THE PREPARATION OF A NOVEL CLASS OF HYPOGLYCEMIC AGENTS LILLY CO ELI (US) 1991-08-07 CN claimed
US-11958844-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-04-16 US disclosed
EP-3827004-B1 4-(1,3,4-OXADIAZOLE-2-YL)PYRIDINE-2(1H)-ONE DERIVATIVES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS FOR THE TREATMENT OF E.G. INFECTIONS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-10-11 EP disclosed
CN-116854683-A Coumarin thiazole derivative and preparation method and application thereof 中北大学 2023-10-10 CN disclosed
CN-115745812-A Preparation method of 2-amino-1- (2,5-dimethoxyphenyl) ethanol 成都沣德煜晟医药科技有限公司 2023-03-07 CN disclosed
US-4193804-A REACTING AN ORGANIC SILVER SALT AND A HALOGEN-RELEASING COMPOUND TO FORM THE SILVER HALIDE WHILE CONTROLLING REDOX POTENTIAL FUJI PHOTO FILM CO., LTD. (JP) 1980-03-18 US disclosed
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 US disclosed
US-3962218-A NOVEL PROSTANOIC ACID DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF SCHERING AKTIENGESELLSCHAFT (DT) 1976-06-08 US disclosed
US-3955982-A HYDROCARBONS, HAL EASTMAN KODAK COMPANY (US) 1976-05-11 US disclosed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 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 (4 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-20140235863-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF TST, NQO1, FNTB HTT 2068/4885MAPT 940/4885MEN1 3776/4885
US-20040198836-A1 Process for the synthesis of (+) 2-amino-n-{2, (2,5-dimethoxy phenyl)-2-hydroxyethyl} acetamide monohydrochloride HACL2, HDHD5, HCN2 HTT 319/4885MAPT 4356/4885MEN1 3201/4885
US-20090123544-A1 STIMULUS-RESPONSIVE BIODEGRADABLE POLYMERS AND METHODS OF PREPARATION PAM, ATF4, MYD88 HTT 4479/4885MAPT 2463/4885MEN1 2243/4885
US-11958844-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and pharmaceutical composition comprising the same HDAC6, HDAC1, HDAC3 HTT 265/4885MAPT 1215/4885MEN1 4027/4885

“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.