SCHEMBL5144571

SCHEMBL5144571

CCc1ccc(C=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
ERBB2 P04626 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 6/20 0.48
LMNA P02545 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HSP90AA1 P07900 1/20 0.48
PKM P14618 1/20 0.48
GAA P10253 3/20 0.48
XBP1 P17861 1/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
NTRK1 P04629 1/20 0.47
NTRK2 Q16620 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 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 0.86 MAPT (0.54) ERBB2TP53MAPTLMNAMEN1
SCHEMBL5144570 0.85 ALDH1A1 (0.59) ERBB2SMN1; SMN2MAPTLMNAMEN1
SCHEMBL5142732 0.85 MAPT (0.62) ERBB2SMN1; SMN2TP53MAPTLMNA
SCHEMBL5142680 0.84 MAPT (0.54) ERBB2SMN1; SMN2MAPTLMNAMEN1
SCHEMBL5145891 0.84 MAPT (0.55) ERBB2TP53MAPTLMNAMEN1
SCHEMBL5149441 0.83 TP53 (0.55) ERBB2SMN1; SMN2TP53MAPTLMNA
SCHEMBL5144537 0.83 GAA (0.61) ERBB2SMN1; SMN2MAPTLMNAMEN1
SCHEMBL5141404 0.83 SMN1; SMN2 (0.50) ERBB2SMN1; SMN2TP53MAPTLMNA
SCHEMBL5142580 0.82 IDH1 (0.54) ERBB2SMN1; SMN2TP53MAPTLMNA
SCHEMBL5144575 0.81 KDR (0.55) ERBB2MAPTLMNAMEN1KMT2A

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 THRB 3967/4885ERBB2 1011/4885SMN1; SMN2 1428/4885

“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.