SCHEMBL5142863

SCHEMBL5142863

Cc1ccc(C=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.54
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HTT P42858 4/20 0.51
RAB9A P51151 2/20 0.51
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
TP53 P04637 2/20 0.49
MAPT P10636 6/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
EPHX2 P34913 1/20 0.48
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.47
RAPGEF4 Q8WZA2 1/20 0.47
IDH1 O75874 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL5142386 0.84 MAPT (0.54) GRIK1MEN1KMT2AHTTRAB9A
SCHEMBL5142354 0.79 MEN1 (0.54) GRIK1MEN1KMT2AHTTRAB9A
SCHEMBL5142685 0.78 KDR (0.49) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL5142704 0.77 GAA (0.54) MEN1KMT2AHTTMAPTGAA
SCHEMBL5142732 0.77 MAPT (0.62) GRIK1MEN1KMT2AHTTRAB9A
SCHEMBL5145916 0.77 KDR (0.54) MEN1KMT2AHTTRAB9ATP53
SCHEMBL5142364 0.77 MEN1 (0.50) MEN1KMT2AHTTRAB9AKCNK3
SCHEMBL5142846 0.77 TP53 (0.50) MEN1KMT2AHTTRAB9ATP53
SCHEMBL5142353 0.76 SLC2A1 (0.54) GRIK1MEN1KMT2AHTTRAB9A
SCHEMBL5145715 0.76 MAPT (0.53) MEN1KMT2AHTTRAB9ATP53

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-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 claimed
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 claimed
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 GRIK1 4560/4885MEN1 2893/4885KMT2A 1674/4885

“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.