SCHEMBL1243719

SCHEMBL1243719

O=C(NCCc1csc(-c2ccccc2)n1)c1ccccc1Br

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.80
TP53 P04637 5/20 0.78
ATM Q13315 1/20 0.75
MAPT P10636 7/20 0.69
LMNA P02545 5/20 0.69
HPGD P15428 2/20 0.69
HSD17B10 Q99714 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.65
ALDH1A1 P00352 3/20 0.61
POLB P06746 2/20 0.56
ALOX15 P16050 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL1243047 0.86 ATM (1.00) KDM4ETP53ATMMAPTLMNA
SCHEMBL1243710 0.83 MAPT (0.69) KDM4ETP53ATMMAPTLMNA
SCHEMBL17261472 0.83 MAPT (0.80) KDM4ETP53ATMMAPTLMNA
SCHEMBL17273797 0.83 ATM (0.71) KDM4ETP53ATMMAPTLMNA
SCHEMBL1243075 0.83 ATM (0.74) KDM4ETP53ATMMAPTLMNA
SCHEMBL17261500 0.82 HSD17B10 (0.70) KDM4ETP53ATMMAPTLMNA
SCHEMBL17273863 0.80 HSD17B10 (0.67) KDM4ETP53ATMMAPTLMNA
SCHEMBL17261569 0.80 MAPT (0.70) KDM4ETP53ATMMAPTLMNA
SCHEMBL17273757 0.80 HSD17B10 (0.67) KDM4ETP53ATMMAPTLMNA
SCHEMBL1243672 0.79 LMNA (1.00) TP53ATMMAPTLMNAHPGD

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
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 claimed
US-20090156651-A1 Heterocyclylethylbenzamide Derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-18 US claimed
EP-1871744-B1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-01-07 EP claimed
EP-1871744-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-01-02 EP claimed
WO-2006108792-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-10-19 WO claimed
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

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 KDM4E 1506/4885TP53 3468/4885ATM 3031/4885

“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.