SCHEMBL104010

SCHEMBL104010

CCCNC(=O)OC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
ACHE P22303 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EPHX1 P07099 1/20 0.42
BCHE P06276 1/20 0.42
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL7201459 0.87 ALOX15 (0.64) ALOX15ACHEEPHX1LMNA
SCHEMBL10450986 0.85 EPHX1 (0.62) ALOX15ACHEEPHX1LMNA
SCHEMBL11752273 0.84 CHRNB2 (0.47) ALOX15CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10304512 0.84 EPHX1 (0.66) ALOX15ACHEEPHX1LMNA
SCHEMBL27050907 0.84 EPHX1 (0.66) ALOX15ACHEEPHX1LMNA
SCHEMBL19508891 0.84 EPHX1 (0.66) ALOX15ACHEEPHX1LMNA
SCHEMBL10252302 0.84 EPHX1 (0.66) ALOX15ACHEEPHX1LMNA
SCHEMBL23273920 0.83 ALOX15 (0.42) ALOX15CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11419405 0.83 CHRNB2 (0.46) ALOX15CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL606535 0.82 CHRNB2 (0.49) ALOX15CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
WO-2021112213-A1 2,4-DIOXO-1,4-DIHYDROTHIENOPYRIMIDINE COMPOUND, AGRICULTURAL OR HORTICULTURAL FUNGICIDAL AGENT, OR MEDICAL/ANIMAL ANTIFUNGAL AGENT, CONTAINING THIS 日本曹達株式会社 2021-06-10 WO disclosed
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-01-14 US disclosed
WO-2019079649-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2019-04-25 WO disclosed
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
CN-104470523-B Compound based on imidazo [1,2 b] pyridazine, comprising their compositions and its application method 莱西肯医药有限公司 2017-07-11 CN disclosed
US-8728442-B2 Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides BAYER CROPSCIENCE LP (US) 2014-05-20 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2012-03-08 US disclosed
US-20110245258-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD. (IN) 2011-10-06 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
WO-2010132509-A2 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2010-11-18 WO disclosed
CN-1871908-A Pesticidal composition and method for controlling pests ISHIHARA SANGYO KAISHA (JP) 2006-12-06 CN disclosed
CN-1620250-A Pesticidal composition and method for controlling pests ISHIHARA SANGYO KAISHA (JP) 2005-05-25 CN disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 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 (8 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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 ALOX15 745/4885CHRNB2 210/4885CHRNB4 392/4885
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 ALOX15 2246/4885CHRNB2 4526/4885CHRNB4 4403/4885
US-20110245258-A1 NOVEL ANTIMICROBIALS ECI1, XDH, CYP3A4 ALOX15 958/4885CHRNB2 4721/4885CHRNB4 4261/4885
US-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI SPOUT1, ERG28, DDT ALOX15 1769/4885CHRNB2 3566/4885CHRNB4 2300/4885
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB ALOX15 2175/4885CHRNB2 4822/4885CHRNB4 4845/4885
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE AAAS, PROC, AADAC ALOX15 1887/4885CHRNB2 4568/4885CHRNB4 4738/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 ALOX15 448/4885CHRNB2 3419/4885CHRNB4 3067/4885
US-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC ALOX15 1887/4885CHRNB2 4568/4885CHRNB4 4738/4885

“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.