SCHEMBL552006

SCHEMBL552006

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.31
PTPN1 P18031 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARG P37231 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
HPGD P15428 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL29459709 0.90 POLB (0.35) NPSR1L3MBTL1POLBKMT2AMEN1
SCHEMBL552005 0.90 POLB (0.35) NPSR1L3MBTL1POLBKMT2AMEN1
SCHEMBL551672 0.84 PBRM1 (0.42) NPSR1L3MBTL1POLBKMT2AMEN1
SCHEMBL551443 0.84 NPSR1 (0.38) NPSR1L3MBTL1POLBKMT2AMEN1
SCHEMBL550488 0.84 PTPN1 (0.42) NPSR1L3MBTL1POLBKMT2AMEN1
SCHEMBL2963051 0.81 SMN1; SMN2 (0.36) L3MBTL1POLBKMT2AMEN1TDP1
SCHEMBL550320 0.80 KMT2A (0.50) NPSR1L3MBTL1POLBKMT2AMEN1
Iodide SCHEMBL29459706 0.79 KMT2A (0.49) NPSR1L3MBTL1POLBKMT2AMEN1
SCHEMBL2891988 0.78 NPSR1 (0.41) NPSR1L3MBTL1POLBKMT2AMEN1
SCHEMBL3373572 0.77 NPSR1 (0.43) NPSR1L3MBTL1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102807541-A Preparation method of 3-iodo-N-(1,1-dimethyl-2-methylmercaptoethyl) isophthalamide HUNAN RES INST CHEMICAL IND 2012-12-05 CN claimed
CN-102807541-A Preparation method of 3-iodo-N-(1,1-dimethyl-2-methylmercaptoethyl) isophthalamide HUNAN RES INST CHEMICAL IND 2012-12-05 CN disclosed
CN-102807541-A Preparation method of 3-iodo-N-(1,1-dimethyl-2-methylmercaptoethyl) isophthalamide HUNAN RES INST CHEMICAL IND 2012-12-05 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
CN-1930129-A N1- ((pyrazol-1-ylmethyl) -2-methylphenyl) -phthalamide derivative and related compound insecticide BAYER CROPSCIENCE AG (DE) 2007-03-14 CN 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 NPSR1 1291/4885L3MBTL1 337/4885POLB 4173/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 NPSR1 687/4885L3MBTL1 361/4885POLB 4359/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT NPSR1 1470/4885L3MBTL1 518/4885POLB 4401/4885

“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.