SCHEMBL5142604

SCHEMBL5142604

CN(C)CCNC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
XBP1 P17861 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL5142590 0.84 MAPT (0.77) TP53SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL31236338 0.84 MAPT (0.77) TP53SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14955215 0.81 TP53 (0.67) TP53SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11798730 0.80 TDP1 (0.58) TP53SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL5142569 0.80 MAPT (0.77) SMN1; SMN2KDM4EMEN1KMT2AMAPT
SCHEMBL9429509 0.78 SMN1; SMN2 (0.69) TP53SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11437364 0.78 HDAC3 (0.74) TP53SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL30212894 0.78 SMN1; SMN2 (0.69) TP53SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14955274 0.78 SYK (0.54) TP53SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL965028 0.77 MAPT (0.70) TP53SMN1; SMN2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043076-A1 Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2007-02-22 US disclosed
WO-2005037196-A2 SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2005-04-28 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-20070043076-A1 Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis CASP14, CASP2, CASP3 TP53 102/4885SMN1; SMN2 1428/4885KDM4E 1216/4885

“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.