SCHEMBL5149441

SCHEMBL5149441

CN(C)c1ccc(C=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
GAA P10253 2/20 0.50
ERBB2 P04626 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 6/20 0.48
LMNA P02545 4/20 0.48
PKM P14618 2/20 0.48
HSP90AA1 P07900 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 3/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL5142386 0.86 MAPT (0.54) TP53GAAERBB2MEN1KMT2A
SCHEMBL5142732 0.85 MAPT (0.62) TP53GAAERBB2MEN1KMT2A
SCHEMBL5142680 0.84 MAPT (0.54) GAAERBB2MEN1KMT2AMAPT
SCHEMBL5145891 0.84 MAPT (0.55) TP53GAAERBB2MEN1KMT2A
SCHEMBL5144537 0.83 GAA (0.61) GAAERBB2MEN1KMT2AMAPT
SCHEMBL5141404 0.83 SMN1; SMN2 (0.50) TP53GAAERBB2MEN1KMT2A
SCHEMBL5144571 0.83 THRB (0.50) TP53GAAERBB2MEN1KMT2A
SCHEMBL5142846 0.83 TP53 (0.50) TP53GAAMEN1KMT2AMAPT
SCHEMBL5142580 0.82 IDH1 (0.54) TP53GAAERBB2MEN1KMT2A
SCHEMBL5144575 0.81 KDR (0.55) ERBB2MEN1KMT2AMAPTLMNA

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 TP53 102/4885GAA 835/4885ERBB2 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.