SCHEMBL552116

SCHEMBL552116

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 3/20 0.40
ATM Q13315 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
HPGD P15428 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 2/20 0.35
HSD17B10 Q99714 2/20 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
SCHEMBL551878 1.00 MEN1 (0.44) MEN1KMT2AALDH1A1RAB9AATM
SCHEMBL552115 0.89 MEN1 (0.41) MEN1KMT2AALDH1A1RAB9AATM
SCHEMBL551877 0.89 MEN1 (0.41) MEN1KMT2AALDH1A1RAB9AATM
SCHEMBL2891828 0.88 MEN1 (0.45) MEN1KMT2AALDH1A1RAB9AATM
SCHEMBL2918476 0.88 KMT2A (0.42) MEN1KMT2AALDH1A1ATMPOLB
SCHEMBL4978507 0.88 MEN1 (0.40) MEN1KMT2AALDH1A1RAB9AATM
SCHEMBL4974939 0.88 MEN1 (0.40) MEN1KMT2AALDH1A1RAB9AATM
SCHEMBL550568 0.84 POLB (0.50) MEN1KMT2AALDH1A1RAB9AATM
SCHEMBL551662 0.84 TAS1R3 (0.45) MEN1KMT2AALDH1A1RAB9AATM
SCHEMBL551264 0.84 KMT2A (0.44) MEN1KMT2AALDH1A1RAB9AATM

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
US-7884242-B2 N1-(6-{[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-methylpyridin-3-yl)-3-chloro-N2-[(1S)-1-methyl-2-(methylthio)ethyl]phthalamide; pesticide; nematocide BAYER CROPSCIENCE AG (DE) 2011-02-08 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
US-20090023752-A1 N-Heterocyclylphthaldiamides as Insecticides BAYER CROPSCIENCE AG (DE) 2009-01-22 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
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
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-10 US 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 (7 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 1629/4885ALDH1A1 2102/4885
US-20090118375-A1 Optically active phthalamides CRYZ, CRY1, CRY2 MEN1 417/4885KMT2A 127/4885ALDH1A1 1580/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 MEN1 1134/4885KMT2A 765/4885ALDH1A1 1137/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT MEN1 823/4885KMT2A 302/4885ALDH1A1 2697/4885
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent GCN1, L3MBTL3, L3MBTL4 MEN1 4160/4885KMT2A 2360/4885ALDH1A1 1987/4885
US-20090023752-A1 N-Heterocyclylphthaldiamides as Insecticides DDT, NQO2, NIT2 MEN1 1657/4885KMT2A 888/4885ALDH1A1 1352/4885
US-20080051457-A1 Optically Active Phthalamide Derivative, Agricultural or Horticultural Insecticide, and Method of Using the Same CRY1, CNPY2, H1-0 MEN1 355/4885KMT2A 25/4885ALDH1A1 875/4885

“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.