SCHEMBL5142386

SCHEMBL5142386

Cc1ccc(C=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
GAA P10253 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTT P42858 4/20 0.53
ERBB2 P04626 1/20 0.53
TP53 P04637 2/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
POLB P06746 1/20 0.52
XBP1 P17861 1/20 0.52
ALOX12 P18054 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
RAB9A P51151 2/20 0.51
HSP90AA1 P07900 1/20 0.51
PKM P14618 1/20 0.51
GRIK1 P39086 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KCNK3 O14649 1/20 0.50

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) MAPTGAAHTTERBB2TP53
SCHEMBL5145891 0.87 MAPT (0.55) MAPTGAAHTTERBB2TP53
SCHEMBL5142680 0.87 MAPT (0.54) MAPTGAATDP1HTTERBB2
SCHEMBL5149441 0.86 TP53 (0.55) MAPTGAAHTTERBB2TP53
SCHEMBL5144571 0.86 THRB (0.50) MAPTGAAHTTERBB2TP53
SCHEMBL5141404 0.86 SMN1; SMN2 (0.50) MAPTGAAHTTERBB2TP53
SCHEMBL5144537 0.86 GAA (0.61) MAPTGAATDP1HTTERBB2
SCHEMBL5142580 0.85 IDH1 (0.54) MAPTGAAHTTERBB2TP53
SCHEMBL5144575 0.85 KDR (0.55) MAPTHTTERBB2MEN1KMT2A
SCHEMBL5142364 0.84 MEN1 (0.50) MAPTGAAHTTERBB2TP53

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 4733/4885GAA 835/4885TDP1 3387/4885

“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.