SCHEMBL552115

SCHEMBL552115

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 1/20 0.40
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 3/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 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
SCHEMBL551877 1.00 MEN1 (0.41) MEN1KMT2ARAB9AALDH1A1MTNR1A
SCHEMBL4974939 0.99 MEN1 (0.40) MEN1KMT2ARAB9AALDH1A1MTNR1A
SCHEMBL4978507 0.99 MEN1 (0.40) MEN1KMT2ARAB9AALDH1A1MTNR1A
SCHEMBL551878 0.89 MEN1 (0.44) MEN1KMT2ARAB9AALDH1A1MTNR1A
SCHEMBL552116 0.89 MEN1 (0.44) MEN1KMT2ARAB9AALDH1A1MTNR1A
SCHEMBL2918472 0.88 ATM (0.39) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL2891824 0.88 MEN1 (0.42) MEN1KMT2ARAB9AALDH1A1MTNR1A
Lithium Ion SCHEMBL5499662 0.87 MEN1 (0.37) MEN1KMT2ARAB9AALDH1A1MTNR1A
SCHEMBL5502939 0.87 MEN1 (0.37) MEN1KMT2ARAB9AALDH1A1MTNR1A
Lithium Ion SCHEMBL4978502 0.87 MEN1 (0.37) MEN1KMT2ARAB9AALDH1A1MTNR1A

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 18 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
US-20090118375-A1 Optically active phthalamides BAYER CROPSCIENCE AG (DE) 2009-05-07 US 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-20080051457-A1 Optically Active Phthalamide Derivative, Agricultural or Horticultural Insecticide, and Method of Using the Same NAKAO HAYAMI 2008-02-28 US 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-101006049-A Optically active phthalamide derivative, insecticide for agriculture and horticulture and use thereof NIHON NOHYAKU CO LTD (JP) 2007-07-25 CN disclosed
EP-1782689-A1 OPTICALLY ACTIVE PHTHALAMIDE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL INSECTICIDE, AND METHOD OF USING THE SAME Nihon Nohyaku Co., Ltd. (JP) 2007-05-09 EP 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-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-10 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-1538138-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2005-06-08 EP 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 (6 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 1629/4885RAB9A 766/4885
US-20090118375-A1 Optically active phthalamides CRYZ, CRY1, CRY2 MEN1 417/4885KMT2A 127/4885RAB9A 1005/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 MEN1 1134/4885KMT2A 765/4885RAB9A 1199/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT MEN1 823/4885KMT2A 302/4885RAB9A 1055/4885
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent GCN1, L3MBTL3, L3MBTL4 MEN1 4160/4885KMT2A 2360/4885RAB9A 456/4885
US-20080051457-A1 Optically Active Phthalamide Derivative, Agricultural or Horticultural Insecticide, and Method of Using the Same CRY1, CNPY2, H1-0 MEN1 355/4885KMT2A 25/4885RAB9A 3349/4885

“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.