SCHEMBL5144564

SCHEMBL5144564

O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1ccc(C(F)(F)F)nc1)C(=O)Nc1ccnc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 2/20 0.48
SMARCA4 P51532 2/20 0.48
ERBB2 P04626 1/20 0.45
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
KCNE1 P15382 2/20 0.42
KCNQ1 P51787 2/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
TSHR P16473 1/20 0.41
KCNQ5 Q9NR82 1/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 3/20 0.41
HSP90AA1 P07900 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL5144568 1.00 SMARCA2 (0.48) SMARCA2SMARCA4ERBB2KCNQ3KCNQ2
SCHEMBL5142699 0.92 KCNQ3 (0.48) SMARCA2SMARCA4ERBB2KCNQ3KCNQ2
SCHEMBL5142697 0.92 KCNQ3 (0.48) SMARCA2SMARCA4ERBB2KCNQ3KCNQ2
SCHEMBL5142373 0.91 ERBB2 (0.49) ERBB2KMT2AMEN1TSHRLMNA
SCHEMBL5142605 0.88 ERBB2 (0.48) SMARCA2SMARCA4ERBB2KMT2AMEN1
SCHEMBL5142608 0.88 ERBB2 (0.48) SMARCA2SMARCA4ERBB2KMT2AMEN1
SCHEMBL5141422 0.88 KMT2A (0.50) SMARCA2SMARCA4ERBB2KMT2AMEN1
SCHEMBL5141419 0.88 KMT2A (0.50) SMARCA2SMARCA4ERBB2KMT2AMEN1
SCHEMBL5142700 0.87 KMT2A (0.52) SMARCA2SMARCA4ERBB2KMT2AMEN1
SCHEMBL5142698 0.87 KMT2A (0.52) SMARCA2SMARCA4ERBB2KMT2AMEN1

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 SMARCA2 1938/4885SMARCA4 2622/4885ERBB2 1011/4885

“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.