SCHEMBL3786882

SCHEMBL3786882

O=C(Nc1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.87
KCNK9 Q9NPC2 3/20 0.87
NPC1 O15118 2/20 0.81
RAB9A P51151 2/20 0.81
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
MAPT P10636 1/20 0.75
HTT P42858 1/20 0.75
KDM4E B2RXH2 1/20 0.71
KCNQ3 O43525 1/20 0.67
KCNQ2 O43526 1/20 0.67
KCNE1 P15382 1/20 0.67
KCNQ1 P51787 1/20 0.67
KCNQ5 Q9NR82 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67

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
SCHEMBL3675463 0.91 KCNK3 (0.84) KCNK3KCNK9NPC1RAB9AMEN1
SCHEMBL3674558 0.89 KCNK3 (0.71) KCNK3KCNK9NPC1RAB9AMEN1
SCHEMBL3794687 0.89 NPC1 (1.00) KCNK3KCNK9NPC1RAB9AMEN1
SCHEMBL25694006 0.89 KCNK3 (0.80) KCNK3KCNK9NPC1RAB9AMEN1
SCHEMBL13802448 0.88 MEN1 (0.78) KCNK3KCNK9NPC1RAB9AMEN1
SCHEMBL1811760 0.88 KCNK3 (0.79) KCNK3KCNK9NPC1RAB9AMEN1
Iodide SCHEMBL30758613 0.88 NPC1 (0.97) KCNK3KCNK9NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL2107467 0.87 KCNK3 (0.77) KCNK3KCNK9NPC1RAB9AMEN1
SCHEMBL8374911 0.87 HDAC1 (0.85) KCNK3KCNK9NPC1RAB9AMEN1
SCHEMBL5046341 0.85 KCNK3 (0.65) KCNK3KCNK9NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483582-B Aza-carbene-palladium complex crystal, synthesis method thereof and application thereof in preparing amide compound 陕西师范大学 2023-02-10 CN disclosed
CN-115304507-A Synthesis method of N-substituted aryl formamide 兰州石化职业技术大学 2022-11-08 CN disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-8975288-B2 F2 derivatives as antibacterial agents THE PENN STATE RESEARCH FOUNDATION (US) 2015-03-10 US disclosed
US-8975288-B2 F2 derivatives as antibacterial agents THE PENN STATE RESEARCH FOUNDATION (US) 2015-03-10 US disclosed
US-20140275192-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION 2014-09-18 US disclosed
US-20140275192-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION 2014-09-18 US disclosed
WO-2013154793-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 2013-10-17 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
CN-101489988-A Process for alkenylation of carboxamides BASF AG (DE) 2009-07-22 CN disclosed
US-7528266-B2 Chemical intermediates of byproduct-free 7-thio-3H-isobenzofuran-1-one derivatives and herbicidal 7-[(4,6-dimethoxy-pyrimidin-2-yl)thio]-3-methyl-3H-isobenzo-furan-1-one SYNGENTA CROP PROTECTION, INC. (US) 2009-05-05 US disclosed
US-20080108813-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2008-05-08 US disclosed
US-20080097111-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2008-04-24 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-7307175-B2 Process for the preparation of 7-substituted 3-alkyl-3H-isobenzofuran-1-one derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-12-11 US disclosed
EP-1390339-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2006-02-01 EP disclosed
US-20040158080-A1 Process for the preparation of 7-substituted 3-alkyl-3h-isobenzofuran-1-one derivatives SYNGENTA CROP PROTECTION, INC. 2004-08-12 US disclosed
EP-1390339-A2 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES Syngenta Participations AG (CH) 2004-02-25 EP disclosed
WO-2002094760-A2 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2002-11-28 WO disclosed
US-4499167-A Photoconductive compositions comprising an organic photoconductor and an amide compound and electro-photographic light-sensitive materials using the compositions FUJI PHOTO FILM CO., LTD. (JP) 1985-02-12 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 (5 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-20080108813-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES C1S, CYP2S1, SULT2A1 KCNK3 506/4885KCNK9 835/4885NPC1 3107/4885
US-20140275192-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS NR2C2, H1-10, NR2F2 KCNK3 3138/4885KCNK9 1717/4885NPC1 554/4885
US-20080097111-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES C1S, C1R, C3AR1 KCNK3 1072/4885KCNK9 1805/4885NPC1 437/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KCNK3 2193/4885KCNK9 2467/4885NPC1 724/4885
US-20040158080-A1 Process for the preparation of 7-substituted 3-alkyl-3h-isobenzofuran-1-one derivatives CBR1, AFF1, ALK KCNK3 1410/4885KCNK9 1443/4885NPC1 1026/4885

“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.