SCHEMBL1813399

SCHEMBL1813399

COc1ccc(CCNC(=O)c2ccccc2Cl)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.66
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
LMNA P02545 3/20 0.62
HPGD P15428 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MAPT P10636 2/20 0.61
KMT2A Q03164 2/20 0.61
ADRB2 P07550 1/20 0.61
ADRB1 P08588 1/20 0.61
ADRB3 P13945 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 1/20 0.60

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
SCHEMBL1811698 0.93 NPC1 (0.63) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6267575 0.88 CYP1A2 (0.65) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10073058 0.86 GAA (0.72) GAAALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL1812144 0.86 MEN1 (0.65) GAAALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL1814229 0.85 CYP1A2 (0.62) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28475160 0.85 NAMPT (0.63) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1815403 0.83 NPC1 (0.55) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10333227 0.83 KMT2A (0.72) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6270935 0.82 ALDH1A1 (0.77) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29356619 0.82 ALDH1A1 (0.77) GAAALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314269-B2 N-(1-methyl-2phenylethyl)benzamide derivatives BAYER CROPSCIENCE AG (DE) 2012-11-20 US claimed
US-20110237678-A1 N-(1-METHYL-2PHENYLETHYL)BENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-09-29 US claimed
US-20090156682-A1 N-(1-Methyl-2Phenylethyl)Benzamide Derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-18 US claimed
EP-1960350-A1 NEW N-(1-METHYL-2PHENYLETHYL)BENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-08-27 EP claimed
WO-2007060162-A1 NEW N-(1-METHYL-2PHENYLETHYL)BENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-05-31 WO claimed
US-8314269-B2 N-(1-methyl-2phenylethyl)benzamide derivatives BAYER CROPSCIENCE AG (DE) 2012-11-20 US disclosed
US-20110237678-A1 N-(1-METHYL-2PHENYLETHYL)BENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
US-7951973-B2 N-(1-methyl-2Phenylethyl)benzamide derivatives BAYER CROPSCIENCE AG (DE) 2011-05-31 US disclosed
US-20090156682-A1 N-(1-Methyl-2Phenylethyl)Benzamide Derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-18 US disclosed
EP-1960350-A1 NEW N-(1-METHYL-2PHENYLETHYL)BENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-08-27 EP disclosed
WO-2007060162-A1 NEW N-(1-METHYL-2PHENYLETHYL)BENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-05-31 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 (2 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-20090156682-A1 N-(1-Methyl-2Phenylethyl)Benzamide Derivatives CYP51A1, CYP1A2, CYP1A1 GAA 59/4885ALDH1A1 393/4885SMN1; SMN2 1807/4885
US-20110237678-A1 N-(1-METHYL-2PHENYLETHYL)BENZAMIDE DERIVATIVES CYP51A1, CYP1A2, CYP1A1 GAA 61/4885ALDH1A1 429/4885SMN1; SMN2 1859/4885

“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.