SCHEMBL5437236

SCHEMBL5437236

COc1c(C(=O)Nc2ccccc2-n2ncc(C(F)(F)F)cc2=O)cc2ccc(F)cc2c1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 11/20 0.38
SCN9A Q15858 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SCN5A Q14524 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SPR P35270 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPY5R Q15761 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
SCHEMBL5437242 0.85 NR3C1 (0.44) MALT1MAPT
SCHEMBL5437243 0.66 KDM4E (0.41) RXFP1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5382538 0.62 NPBWR1 (0.42) MAPT
SCHEMBL4066370 0.61 SORT1 (0.37) MAPT
SCHEMBL6794821 0.61 PPOX (0.44) MAPK1MAPT
SCHEMBL5388466 0.61 NPBWR1 (0.40) MAPK1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL18172201 0.60 SCN9A (0.72) MALT1SCN9ASCN5ARXFP1CYP2C9
SCHEMBL5388822 0.59 NPBWR1 (0.39) MAPK1MAPT
SCHEMBL4062616 0.59 SORT1 (0.37) MALT1MAPT
SCHEMBL31448207 0.59 SORT1 (0.37) MALT1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39590-E1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INCORPORATED (US) 2007-04-24 US disclosed
US-6545161-B2 Potato and corn crops ISK AMERICAS INCORPORATED 2003-04-08 US disclosed
EP-1030843-A4 SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2002-11-06 EP disclosed
US-20020133007-A1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INCORPORATED 2002-09-19 US disclosed
US-6355799-B1 PREEMERGENT HERBICIDE FOR CEREAL CROP FIELDS, DEFOLIANT FOR POTATO AND COTTON PLANTS ISK AMERICAS INCORPORATED 2002-03-12 US disclosed
EP-1030843-A1 SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM ISK Americas Incorporated (US) 2000-08-30 EP disclosed
WO-1999021837-A1 SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INCORPORATED (US) 1999-05-06 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 (1 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-20020133007-A1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them DDT, CYP4X1, CYP1A1 MALT1 4254/4885SCN9A 2097/4885MAPK1 2458/4885

“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.