SCHEMBL5144537

SCHEMBL5144537

COc1ccc(C=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
MAPT P10636 5/20 0.57
ALDH1A1 P00352 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 4/20 0.54
RXFP1 Q9HBX9 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.52
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
UBE2M P61081 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51
ERBB2 P04626 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAOB P27338 1/20 0.50
GSK3A P49840 1/20 0.49

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
SCHEMBL5145926 0.91 GAA (0.55) GAAMAPTALDH1A1TDP1LMNA
SCHEMBL5142554 0.88 TRPV1 (0.54) GAAMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5142746 0.87 MAPT (0.54) GAAMAPTALDH1A1LMNARXFP1
SCHEMBL5144570 0.87 ALDH1A1 (0.59) GAAMAPTALDH1A1LMNARXFP1
SCHEMBL5142696 0.87 LMNA (0.57) GAAMAPTALDH1A1TDP1LMNA
SCHEMBL5142694 0.87 LMNA (0.57) GAAMAPTALDH1A1TDP1LMNA
SCHEMBL5142386 0.86 MAPT (0.54) GAAMAPTALDH1A1TDP1LMNA
SCHEMBL5142732 0.85 MAPT (0.62) GAAMAPTALDH1A1LMNARXFP1
SCHEMBL5142704 0.84 GAA (0.54) GAAMAPTALDH1A1TDP1LMNA
SCHEMBL5145891 0.84 MAPT (0.55) GAAMAPTALDH1A1LMNARXFP1

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 GAA 835/4885MAPT 4733/4885ALDH1A1 952/4885

“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.