SCHEMBL5145891

SCHEMBL5145891

O=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
RECQL P46063 1/20 0.55
ERBB2 P04626 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
HTT P42858 3/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 3/20 0.51
PKM P14618 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HSP90AA1 P07900 1/20 0.51
GRIK1 P39086 1/20 0.51
ALDH1A1 P00352 4/20 0.50
OPRK1 P41145 1/20 0.50
TP53 P04637 1/20 0.49
MPO P05164 1/20 0.48
GAA P10253 3/20 0.48
XBP1 P17861 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL5142732 0.88 MAPT (0.62) MAPTMEN1KMT2AERBB2RXFP1
SCHEMBL5142680 0.87 MAPT (0.54) MAPTMEN1KMT2AERBB2RXFP1
SCHEMBL5142386 0.87 MAPT (0.54) MAPTMEN1KMT2AERBB2RXFP1
SCHEMBL5144575 0.85 KDR (0.55) MAPTMEN1KMT2AERBB2RXFP1
SCHEMBL5144571 0.84 THRB (0.50) MAPTMEN1KMT2ARECQLERBB2
SCHEMBL5149441 0.84 TP53 (0.55) MAPTMEN1KMT2AERBB2HTT
SCHEMBL5144537 0.84 GAA (0.61) MAPTMEN1KMT2AERBB2RXFP1
SCHEMBL5142352 0.84 ERBB2 (0.58) MAPTMEN1KMT2AERBB2RXFP1
SCHEMBL5141404 0.84 SMN1; SMN2 (0.50) MAPTMEN1KMT2AERBB2HTT
SCHEMBL5142367 0.83 MAPT (0.61) MAPTMEN1KMT2AERBB2RXFP1

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 MAPT 4733/4885MEN1 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.