SCHEMBL551671

SCHEMBL551671

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.42
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
SLC16A3 O15427 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MT-CO2 P00403 1/20 0.38
LMNA P02545 1/20 0.38
TTR P02766 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL551672 0.90 PBRM1 (0.42) PBRM1KMT2ATSHRSLC16A3ALDH1A1
SCHEMBL28474196 0.85 L3MBTL1 (0.49) PBRM1KMT2ATSHRSLC16A3ALDH1A1
SCHEMBL29643347 0.85 L3MBTL1 (0.49) PBRM1KMT2ATSHRSLC16A3ALDH1A1
SCHEMBL550487 0.84 ALB (0.40) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL29459709 0.84 POLB (0.35) KMT2AALDH1A1HPGDMEN1POLB
SCHEMBL552005 0.84 POLB (0.35) KMT2AALDH1A1HPGDMEN1POLB
SCHEMBL551442 0.84 FABP4 (0.37) KMT2AALDH1A1HPGDMEN1MAPT
SCHEMBL5427925 0.82 ALDH1A1 (0.50) ALDH1A1HPGDLMNACYP1A2MAPT
SCHEMBL28471968 0.82 ALDH1A1 (0.49) PBRM1KMT2ATSHRSLC16A3ALDH1A1
SCHEMBL550320 0.80 KMT2A (0.50) KMT2AALDH1A1MEN1CYP1A2MAPT

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 16 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-8110689-B2 Benzanilides with insecticidal activity BAYER CROPSCIENE AG (DE) 2012-02-07 US 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-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 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 PBRM1 3253/4885KMT2A 1629/4885TSHR 926/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 PBRM1 2125/4885KMT2A 765/4885TSHR 1924/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT PBRM1 4128/4885KMT2A 302/4885TSHR 1289/4885

“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.