SCHEMBL5145822

SCHEMBL5145822

O=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1cccnc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HSP90AA1 P07900 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
TTR P02766 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
UGT1A1 P22309 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL5145916 0.82 KDR (0.54) KMT2AMEN1MAPTHSP90AA1NPSR1
SCHEMBL5142353 0.79 SLC2A1 (0.54) KMT2AMEN1MAPTKDM4ENPSR1
SCHEMBL5142354 0.79 MEN1 (0.54) KMT2AMEN1MAPTKDM4ENPSR1
SCHEMBL5142747 0.78 KDR (0.57) KMT2AMEN1MAPTHSP90AA1NPSR1
SCHEMBL5142685 0.78 KDR (0.49) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL5141419 0.78 KMT2A (0.50) KMT2AMEN1MAPTKDM4EHSP90AA1
SCHEMBL5141422 0.78 KMT2A (0.50) KMT2AMEN1MAPTKDM4EHSP90AA1
SCHEMBL5142680 0.77 MAPT (0.54) KMT2AMEN1MAPTKDM4EHSP90AA1
SCHEMBL5142735 0.77 MAPT (0.51) KMT2AMEN1MAPTHSP90AA1NPSR1
SCHEMBL3110003 0.77 KMT2A (0.65) KMT2AMEN1MAPTKDM4ENPSR1

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 KMT2A 1674/4885MEN1 2893/4885MAPT 4733/4885

“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.