SCHEMBL2065618

SCHEMBL2065618

C=CCC(Cc1ccccc1)NC=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.73
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
SLC6A4 P31645 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH7 P40394 1/20 0.40
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MME P08473 2/20 0.37
CTRB1 P17538 1/20 0.37
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 1/20 0.36

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
SCHEMBL29257172 0.85 EPHX1 (1.00) EPHX1MEN1KMT2ATAAR1SLC6A4
SCHEMBL12681300 0.79 EPHX1 (0.79) EPHX1MEN1KMT2ATAAR1SLC6A4
SCHEMBL2703617 0.79 EPHX1 (0.79) EPHX1MEN1KMT2ATAAR1SLC6A4
SCHEMBL3964533 0.79 EPHX1 (0.79) EPHX1MEN1KMT2ATAAR1SLC6A4
SCHEMBL10433409 0.79 EPHX1 (0.79) EPHX1MEN1KMT2ATAAR1SLC6A4
SCHEMBL7509446 0.79 EPHX1 (0.79) EPHX1MEN1KMT2ATAAR1SLC6A4
SCHEMBL6316970 0.76 EPHX1 (0.73) EPHX1MEN1KMT2ATAAR1SLC6A4
SCHEMBL7180775 0.76 EPHX1 (0.44) EPHX1SMN1; SMN2TDP1TSHRCYP2C19
SCHEMBL5033810 0.76 CTRB1 (0.53) EPHX1MMECTRB1MMP2MMP3
SCHEMBL5033815 0.76 CTRB1 (0.53) EPHX1MMECTRB1MMP2MMP3

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
EP-2300454-B1 Novel Microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2015-01-21 EP disclosed
US-8148419-B2 N-(1-alkyl-2-phenylethyl)-carboxamide derivatives and use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-04-03 US disclosed
US-8148419-B2 N-(1-alkyl-2-phenylethyl)-carboxamide derivatives and use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-04-03 US disclosed
EP-1960379-B1 N-(1-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2010-06-30 EP disclosed
US-20090258912-A1 N-(1-Alkyl-2-Phenylethyl)-Carboxamide Derivatives and Use Thereof as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-10-15 US disclosed
US-20090258912-A1 N-(1-Alkyl-2-Phenylethyl)-Carboxamide Derivatives and Use Thereof as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-10-15 US disclosed
EP-1792901-A1 N-(1-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES Bayer CropScience S.A. (FR) 2007-06-06 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-20090258912-A1 N-(1-Alkyl-2-Phenylethyl)-Carboxamide Derivatives and Use Thereof as Fungicides CYP1A2, CYP51A1, CYP1A1 EPHX1 1091/4885MEN1 732/4885KMT2A 1002/4885

“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.