SCHEMBL551672

SCHEMBL551672

CSCC(C)(C)NC(=O)c1cccc(Cl)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.42
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
TSHR P16473 1/20 0.37
FEN1 P39748 1/20 0.37
SORT1 Q99523 1/20 0.37
SLC16A3 O15427 1/20 0.37
HTT P42858 1/20 0.36
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL551671 0.90 PBRM1 (0.42) PBRM1KMT2AALDH1A1HPGDFABP3
SCHEMBL5427925 0.85 ALDH1A1 (0.50) ALDH1A1HPGDHTTLMNAPOLB
SCHEMBL550488 0.84 PTPN1 (0.42) KMT2ANPSR1L3MBTL1SORT1MEN1
SCHEMBL551443 0.84 NPSR1 (0.38) KMT2ANPSR1L3MBTL1ALDH1A1HPGD
SCHEMBL552006 0.84 NPSR1 (0.38) KMT2ANPSR1L3MBTL1ALDH1A1HPGD
SCHEMBL550320 0.80 KMT2A (0.50) KMT2ANPSR1L3MBTL1ALDH1A1HTT
Iodide SCHEMBL29459706 0.79 KMT2A (0.49) KMT2ANPSR1L3MBTL1ALDH1A1HTT
SCHEMBL2891988 0.78 NPSR1 (0.41) KMT2ANPSR1L3MBTL1MEN1POLB
SCHEMBL3373572 0.77 NPSR1 (0.43) KMT2ANPSR1L3MBTL1MEN1POLB
SCHEMBL3377641 0.77 NPSR1 (0.40) NPSR1L3MBTL1CYP1A2CYP3A4MAPT

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 10 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
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 PBRM1 3253/4885KMT2A 1629/4885NPSR1 1291/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 PBRM1 2125/4885KMT2A 765/4885NPSR1 687/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT PBRM1 4128/4885KMT2A 302/4885NPSR1 1470/4885

“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.