SCHEMBL680550

SCHEMBL680550

N[C@H]1C(O)=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 2/20 0.37
ANPEP P15144 2/20 0.32

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
SCHEMBL30181026 1.00 MEN1 (0.38) MEN1GAAKMT2AHTR2AANPEP
SCHEMBL680551 1.00 MEN1 (0.38) MEN1GAAKMT2AHTR2AANPEP
SCHEMBL17343612 1.00 MEN1 (0.38) MEN1GAAKMT2AHTR2AANPEP
SCHEMBL30272955 0.96 MEN1 (0.35) MEN1GAAKMT2AHTR2AANPEP
SCHEMBL30272956 0.76 CYP1A2 (0.38) MEN1KMT2A
SCHEMBL5111850 0.75 MEN1 (0.33) MEN1GAAKMT2AHTR2A
SCHEMBL30424597 0.74 HTR2A (0.38) MEN1GAAKMT2AHTR2AANPEP
SCHEMBL8531996 0.74 MAOA (0.38) MEN1GAAKMT2AHTR2A
SCHEMBL24475199 0.73 MEN1 (0.33) MEN1GAAKMT2AHTR2A
SCHEMBL6237164 0.73 MEN1 (0.33) MEN1GAAKMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure BEIJING SHOWBY PHARMACEUTICAL CO., LTD. (CN) 2022-09-20 US disclosed
CN-113975274-A Cyclofused thiazoline 2-pyridones, method for the production thereof and use thereof for treating and/or preventing tuberculosis 快尔生物技术公司 2022-01-28 CN disclosed
CN-109069492-B Cyclofused thiazoline 2-pyridones, method for the production thereof and use thereof for treating and/or preventing tuberculosis 快尔生物技术公司 2021-12-10 CN disclosed
CN-107961215-B Levocetirizine injection 北京科信必成医药科技发展有限公司 2021-08-24 CN disclosed
CN-107961214-B Cetirizine injection 北京科信必成医药科技发展有限公司 2021-08-24 CN disclosed
CN-112105624-A Treatment of cancer using (2, 2-bis hydroxymethyl) methylene cyclopropane nucleotides 美迪维尔公司 2020-12-18 CN disclosed
EP-3556435-B1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE BEIJING SHOWBY PHARMACEUTICAL CO LTD (CN) 2020-10-28 EP disclosed
CN-111246848-A Cyclofused thiazolo 2-pyridones in combination with antitubercular agents 快尔生物技术公司 2020-06-05 CN disclosed
CN-110799513-A Ring-fused thiazolo-2-pyridones, method for the production thereof and use thereof for treating and/or preventing diseases which involve gram-positive bacteria 快尔生物技术公司 2020-02-14 CN disclosed
CN-107074878-B 2, 3-dihydro-thiazolo [3,2-a ] pyridin-5-one derivatives, intermediates thereof and their use as antibacterial agents 快尔生物技术公司 2019-12-24 CN disclosed
US-20110004164-A1 NON-SEDATING ANTIHISTAMINE INJECTION FORMULATIONS AND METHODS OF USE THEREOF ESTEVE PHARMACEUTICALS S.A. (ES) 2011-01-06 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20090029945-A2 Non-Anilinic Derivatives of Isothiazol-3(2H)-Thione 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
US-20080319017-A2 Non-Anilinic Derivatives of Isothiazol-3(2H)-Thione 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080139616-A1 Atherosclerosis; inflammatory diseases, Alzheimer's disease, dyslipidemia, metabolic syndrome; 2-isopropyl-5-phenyl-4-[(4-phenylbutyl)amino]isothiazole-3(2H)-thione 1,1-dioxide for example ASTRAZENECA AB (SE) 2008-06-12 US disclosed
US-20080125396-A1 Derivatives of Isothiazol-3(2H)-Thione 1,1-Dioxides as Liver X Receptor Modulators ATRAZENECA AB (SE) 2008-05-29 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 (9 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-20080125396-A1 Derivatives of Isothiazol-3(2H)-Thione 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MEN1 4391/4885GAA 3174/4885KMT2A 3218/4885
US-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure AGTR2, AGTR1, ADRB2 MEN1 3713/4885GAA 3700/4885KMT2A 1079/4885
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MEN1 4332/4885GAA 2135/4885KMT2A 2880/4885
US-20080319017-A2 Non-Anilinic Derivatives of Isothiazol-3(2H)-Thione 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MEN1 4395/4885GAA 2805/4885KMT2A 3100/4885
US-20080139616-A1 Atherosclerosis; inflammatory diseases, Alzheimer's disease, dyslipidemia, metabolic syndrome; 2-isopropyl-5-phenyl-4-[(4-phenylbutyl)amino]isothiazole-3(2H)-thione 1,1-dioxide for example NR1H2, NR1H3, SREBF1 MEN1 4650/4885GAA 2556/4885KMT2A 3177/4885
US-20090029945-A2 Non-Anilinic Derivatives of Isothiazol-3(2H)-Thione 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MEN1 4395/4885GAA 2805/4885KMT2A 3100/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MEN1 4332/4885GAA 2135/4885KMT2A 2880/4885
US-20110004164-A1 NON-SEDATING ANTIHISTAMINE INJECTION FORMULATIONS AND METHODS OF USE THEREOF HRH1, HRH2, HRH4 MEN1 3900/4885GAA 1598/4885KMT2A 350/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MEN1 4112/4885GAA 2454/4885KMT2A 3198/4885

“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.