SCHEMBL550871

SCHEMBL550871

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 1/20 0.35
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 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
SCHEMBL550872 0.91 MEN1 (0.39) MEN1KMT2AHPGDKDM4EHSD17B10
SCHEMBL2889720 0.90 MEN1 (0.37) MEN1KMT2AHPGDKDM4EHSD17B10
SCHEMBL3377959 0.90 MEN1 (0.39) MEN1KMT2AHPGDKDM4EHSD17B10
SCHEMBL3377825 0.89 MEN1 (0.48) MEN1KMT2AHPGDKDM4EHSD17B10
SCHEMBL3377672 0.88 DRD2 (0.35) MEN1KMT2AHPGDKDM4EHSD17B10
SCHEMBL551924 0.86 HPGD (0.41) KMT2AHPGDKDM4EHSD17B10ALDH1A1
SCHEMBL551637 0.86 ALDH1A1 (0.45) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL2162429 0.81 KCNK3 (0.43) MEN1KMT2AHPGDKDM4EHSD17B10
SCHEMBL2889721 0.81 MEN1 (0.40) MEN1KMT2AHPGDKDM4EHSD17B10
SCHEMBL3377960 0.81 MEN1 (0.41) MEN1KMT2AHPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1517886-B1 NOVEL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-10 EP 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
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
US-7132455-B2 Phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-11-07 US disclosed
US-20060035967-A1 Novel phthalamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-02-16 US disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 WO disclosed
EP-1517886-A1 NOVEL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-03-30 EP disclosed
WO-2004000796-A1 NOVEL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-12-31 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 (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-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY CBR3, HCN3, HAX1 MEN1 3108/4885KMT2A 1629/4885HPGD 1195/4885
US-20060035967-A1 Novel phthalamide derivatives HDAC1, HDAC2, CRY1 MEN1 1772/4885KMT2A 102/4885HPGD 2293/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 MEN1 1134/4885KMT2A 765/4885HPGD 1285/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT MEN1 823/4885KMT2A 302/4885HPGD 1979/4885

“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.