SCHEMBL2266545

SCHEMBL2266545

CC(Cc1ccc(-c2ccc(Cl)cc2)cc1Cl)NC(=O)c1cn(C)nc1C(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.42
HAT1 O14929 3/20 0.39
EP300 Q09472 3/20 0.39
AKT3 Q9Y243 1/20 0.38
CNR2 P34972 2/20 0.38
ACACB O00763 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MME P08473 5/20 0.36
ACE P12821 3/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGES O14684 1/20 0.35
KCNA3 P22001 1/20 0.35

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
SCHEMBL2266525 0.92 AKT3 (0.44) AHRHAT1EP300AKT3CNR2
SCHEMBL14344400 0.92 AKT3 (0.44) AHRHAT1EP300AKT3CNR2
SCHEMBL2269813 0.86 HTT (0.40) AHRAKT3ACACBLMNA
SCHEMBL23491372 0.80 GAA (0.43) AHRAKT3ACACBLMNAALDH1A1
SCHEMBL17102289 0.80 GAA (0.43) AHRAKT3ACACBLMNAALDH1A1
SCHEMBL13666525 0.79 GAA (0.40) ACACBLMNAPOLB
SCHEMBL28456502 0.79 ACACB (0.53) ACACBLMNAPOLBALDH1A1
SCHEMBL23491373 0.78 MME (0.39) AKT3LMNAMME
SCHEMBL854807 0.78 MME (0.39) AKT3LMNAMME
SCHEMBL23491374 0.78 MME (0.39) AKT3LMNAMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 US disclosed
US-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 US disclosed
US-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 US disclosed
WO-2007141009-A1 N- (L-ALKYL-2- PHENYLETHYL) -CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-12-13 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-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES CYP1A1, CYP51A1, CYP2E1 AHR 44/4885HAT1 3356/4885EP300 4361/4885

“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.