SCHEMBL1243710

SCHEMBL1243710

Cc1nc(CCNC(=O)c2ccccc2Br)cs1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
TP53 P04637 2/20 0.68
ALDH1A1 P00352 2/20 0.63
GAA P10253 2/20 0.63
KDM4E B2RXH2 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.62
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
HTT P42858 1/20 0.56
LMNA P02545 2/20 0.54
STAT1 P42224 1/20 0.53
HIF1A Q16665 1/20 0.52
ATM Q13315 1/20 0.52
NAMPT P43490 1/20 0.52
NLRP3 Q96P20 1/20 0.49
HPGD P15428 1/20 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
SCHEMBL1243719 0.83 KDM4E (0.80) MAPTTP53ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1243101 0.82 MAPT (0.65) MAPTTP53ALDH1A1GAAKDM4E
SCHEMBL15400996 0.82 NPC1 (0.67) MAPTTP53ALDH1A1GAAKDM4E
SCHEMBL6489194 0.76 MAPT (0.71) MAPTTP53ALDH1A1GAASMN1; SMN2
SCHEMBL1243071 0.76 SMN1; SMN2 (0.69) MAPTALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL1974245 0.72 NLRP3 (0.80) MAPTALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL28710994 0.72 NLRP3 (0.61) MAPTALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL13753121 0.72 HPGD (0.66) MAPTALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL1243067 0.71 SMN1; SMN2 (0.72) MAPTTP53ALDH1A1GAASMN1; SMN2
SCHEMBL15038314 0.71 NLRP3 (0.79) MAPTALDH1A1GAARAB9AHTT

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 MAPT 2385/4885TP53 3468/4885ALDH1A1 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.