SCHEMBL2266525

SCHEMBL2266525

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 1/20 0.44
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
P2RX7 Q99572 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
HAT1 O14929 3/20 0.39
EP300 Q09472 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GALR3 O60755 1/20 0.39
HTT P42858 1/20 0.39
AHR P35869 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL14344400 1.00 AKT3 (0.44) AKT3ALDH1A1GAAP2RX7CYP1A2
SCHEMBL2266545 0.92 AHR (0.42) AKT3ALDH1A1HAT1EP300AHR
SCHEMBL2269813 0.90 HTT (0.40) AKT3P2RX7SMN1; SMN2HTTAHR
SCHEMBL23491372 0.88 GAA (0.43) AKT3ALDH1A1GAAP2RX7CYP1A2
SCHEMBL17102289 0.88 GAA (0.43) AKT3ALDH1A1GAAP2RX7CYP1A2
SCHEMBL13666525 0.86 GAA (0.40) GAAP2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL854807 0.85 MME (0.39) AKT3P2RX7CYP3A4SMN1; SMN2HTT
SCHEMBL23491374 0.85 MME (0.39) AKT3P2RX7CYP3A4SMN1; SMN2HTT
SCHEMBL23491373 0.85 MME (0.39) AKT3P2RX7CYP3A4SMN1; SMN2HTT
SCHEMBL10297485 0.83 MEN1 (0.53) ALDH1A1GAAP2RX7NPC1RAB9A

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 AKT3 4545/4885ALDH1A1 190/4885GAA 658/4885

“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.