SCHEMBL551264

SCHEMBL551264

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.39
POLB P06746 2/20 0.39
HSP90AA1 P07900 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2161257 0.89 KMT2A (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL551263 0.89 KMT2A (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL551627 0.88 KMT2A (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4976541 0.88 KMT2A (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4977222 0.88 KMT2A (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL551662 0.84 TAS1R3 (0.45) KMT2AMEN1ALDH1A1RAB9AATM
SCHEMBL551878 0.84 MEN1 (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL550568 0.84 POLB (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL552116 0.84 MEN1 (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL551897 0.83 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1POLBTDP1

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 KMT2A 1629/4885MEN1 3108/4885ALDH1A1 2102/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 KMT2A 765/4885MEN1 1134/4885ALDH1A1 1137/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT KMT2A 302/4885MEN1 823/4885ALDH1A1 2697/4885

“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.