SCHEMBL550487

SCHEMBL550487

CSCC(C)(C)NC(=O)c1c(F)cccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.40
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 3/20 0.36
PTPN1 P18031 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL550488 0.90 PTPN1 (0.42) ALBRAB9ANPC1GAAPTPN1
SCHEMBL29459709 0.84 POLB (0.35) RAB9ANPC1GAAPOLBNPSR1
SCHEMBL551442 0.84 FABP4 (0.37) RAB9APOLBNPSR1L3MBTL1MAPT
SCHEMBL552005 0.84 POLB (0.35) RAB9ANPC1GAAPOLBNPSR1
SCHEMBL551671 0.84 PBRM1 (0.42) POLBMAPTMEN1KMT2ALMNA
SCHEMBL5716655 0.83 ALB (0.36) ALBRAB9ANPC1GAAPTPN1
SCHEMBL28472992 0.81 ALDH1A1 (0.34) ALBRAB9ANPC1GAAPTPN1
SCHEMBL550320 0.80 KMT2A (0.50) POLBNPSR1L3MBTL1MAPTALOX15
Iodide SCHEMBL29459706 0.79 KMT2A (0.49) POLBNPSR1L3MBTL1MAPTALOX15
SCHEMBL3377632 0.79 NPSR1 (0.37) NPSR1L3MBTL1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109180543-B Preparation method of pesticide intermediate containing halogenated benzene ring bisamide side chain structure 绍兴贝斯美化工股份有限公司 2021-05-25 CN claimed
CN-109180543-B Preparation method of pesticide intermediate containing halogenated benzene ring bisamide side chain structure 绍兴贝斯美化工股份有限公司 2021-05-25 CN disclosed
CN-101198589-B N-benzanilides with insecticidal activity BAYER CROPSCIENCE AG 2012-07-18 CN disclosed
US-8110689-B2 Benzanilides with insecticidal activity BAYER CROPSCIENE AG (DE) 2012-02-07 US disclosed
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-05-27 US disclosed
US-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 US disclosed
US-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 US disclosed
EP-1727804-B1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2009-11-04 EP disclosed
CN-101198589-A N-benzanilides with insecticidal activity BAYER CROPSCIENCE AG (DE) 2008-06-11 CN disclosed
EP-1893567-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY Bayer CropScience AG (DE) 2008-03-05 EP disclosed
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
WO-2006133823-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2006-12-21 WO 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 (3 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-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY CBR3, HCN3, HAX1 ALB 4623/4885RAB9A 766/4885NPC1 1914/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 ALB 3863/4885RAB9A 1199/4885NPC1 2617/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT ALB 4200/4885RAB9A 1055/4885NPC1 2884/4885

“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.