SCHEMBL1243700

SCHEMBL1243700

Cc1nc(C)c(CCNC(=O)c2ccccc2C(F)(F)F)s1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.72
GAA P10253 3/20 0.69
ALDH1A1 P00352 2/20 0.69
MAPT P10636 9/20 0.51
LMNA P02545 6/20 0.51
THRB P10828 2/20 0.47

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
SCHEMBL16771871 0.83 TP53 (0.62) TP53GAAALDH1A1MAPTLMNA
SCHEMBL1243101 0.79 MAPT (0.65) TP53GAAALDH1A1MAPTLMNA
SCHEMBL16771890 0.79 TP53 (0.55) TP53GAAALDH1A1MAPT
SCHEMBL22640005 0.79 GAA (1.00) TP53GAAALDH1A1MAPTLMNA
SCHEMBL31452997 0.74 LMNA (0.57) TP53GAAALDH1A1MAPTLMNA
SCHEMBL13073725 0.74 NPC1 (0.66) TP53GAAALDH1A1MAPTLMNA
SCHEMBL15401571 0.74 TP53 (0.57) TP53ALDH1A1MAPTLMNA
SCHEMBL6360854 0.74 LMNA (0.60) TP53GAAALDH1A1LMNATHRB
SCHEMBL5177310 0.73 TP53 (0.53) TP53GAAALDH1A1LMNATHRB
SCHEMBL3244453 0.72 TP53 (0.50) TP53GAAMAPTLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888289-B2 2,6-Difluoro-N-[2-(2-methyl-4-thiazolyl)ethyl]benzamide; applying an effective and nonphytotoxic amount of the fungicide composition to the plant seeds,leaves and/or fruits of the plants or to the soil; crops; Alternaria BAYER CROPSCIENCE AG (DE) 2011-02-15 US disclosed
US-20090156651-A1 Heterocyclylethylbenzamide Derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-18 US disclosed
EP-1871744-B1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-01-07 EP disclosed
EP-1871744-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-01-02 EP disclosed
WO-2006108792-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-10-19 WO disclosed
EP-1710237-A1 New heterocyclylethylbenzamide derivatives Bayer CropScience S.A. (FR) 2006-10-11 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 (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-20090156651-A1 Heterocyclylethylbenzamide Derivatives CYP1A2, CYP51A1, CYP1B1 TP53 3468/4885GAA 38/4885ALDH1A1 787/4885

“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.