SCHEMBL5145871

SCHEMBL5145871

O=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1ccc2c(c1)CCO2)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
NPSR1 Q6W5P4 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ERBB2 P04626 1/20 0.48
GPR142 Q7Z601 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 4/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 2/20 0.44
PKM P14618 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CCR2 P41597 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
IDH1 O75874 1/20 0.42

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
SCHEMBL5144522 0.88 MAPT (0.54) MAPTNPSR1RXFP1ERBB2LMNA
SCHEMBL5142345 0.79 MAPT (0.50) MAPTRXFP1ERBB2GPR142LMNA
SCHEMBL5142343 0.79 MAPT (0.50) MAPTRXFP1ERBB2GPR142LMNA
SCHEMBL5142732 0.77 MAPT (0.62) MAPTNPSR1RXFP1ERBB2GAA
SCHEMBL6248564 0.77 MAPT (0.43) MAPTNPSR1RXFP1TP53POLB
SCHEMBL5142369 0.77 MAPT (0.56) MAPTNPSR1RXFP1ERBB2GAA
SCHEMBL5142386 0.76 MAPT (0.54) MAPTNPSR1RXFP1ERBB2GAA
SCHEMBL5145891 0.76 MAPT (0.55) MAPTNPSR1RXFP1ERBB2KDM4E
SCHEMBL5142680 0.76 MAPT (0.54) MAPTNPSR1RXFP1ERBB2KDM4E
SCHEMBL5142706 0.75 MAPT (0.56) MAPTNPSR1RXFP1ERBB2LMNA

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 4733/4885NPSR1 3775/4885RXFP1 4875/4885

“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.