SCHEMBL5142685

SCHEMBL5142685

O=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1ccc(O)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
RAB9A P51151 3/20 0.48
TRPV1 Q8NER1 1/20 0.47
P2RX1 P51575 2/20 0.47
SLC2A1 P11166 1/20 0.47
P2RX4 Q99571 1/20 0.47
P2RX7 Q99572 1/20 0.47
TMPRSS4 Q9NRS4 1/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 1/20 0.47
BAZ1A Q9NRL2 1/20 0.47
HTT P42858 3/20 0.47
ERBB2 P04626 1/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NTRK1 P04629 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
SCHEMBL5142354 0.89 MEN1 (0.54) KDRRAB9AP2RX1SLC2A1P2RX4
SCHEMBL5142846 0.84 TP53 (0.50) KDRRXFP1RAB9AMAPTMEN1
SCHEMBL5145916 0.83 KDR (0.54) KDRRXFP1RAB9AP2RX1SLC2A1
SCHEMBL5142353 0.82 SLC2A1 (0.54) KDRRAB9AP2RX1SLC2A1P2RX4
SCHEMBL5142747 0.82 KDR (0.57) KDRRXFP1RAB9AP2RX1SLC2A1
SCHEMBL5142676 0.80 CCR2 (0.52) KDRRXFP1RAB9AMAPTMEN1
SCHEMBL5142369 0.79 MAPT (0.56) KDRRXFP1RAB9AP2RX1SLC2A1
SCHEMBL5145822 0.78 KMT2A (0.50) KDRRAB9AMAPTMEN1KMT2A
SCHEMBL5142735 0.78 MAPT (0.51) KDRRAB9AP2RX1SLC2A1P2RX4
SCHEMBL5142680 0.78 MAPT (0.54) KDRRXFP1RAB9AP2RX1SLC2A1

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 KDR 2936/4885RXFP1 4875/4885RAB9A 1979/4885

“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.