SCHEMBL5142676

SCHEMBL5142676

O=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1cc2c(cc1Cl)OCO2)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.52
RXFP1 Q9HBX9 2/20 0.48
RXFP2 Q8WXD0 1/20 0.48
KDR P35968 1/20 0.46
RAB9A P51151 2/20 0.45
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 3/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.43
THRB P10828 1/20 0.42
PKM P14618 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
SCHEMBL6248569 0.94 CCR2 (0.48) CCR2RXFP1RXFP2KDRRAB9A
SCHEMBL5145916 0.82 KDR (0.54) RXFP1KDRRAB9AMAPTLMNA
SCHEMBL5142353 0.81 SLC2A1 (0.54) KDRRAB9AMAPTLMNAHTT
SCHEMBL5142354 0.81 MEN1 (0.54) KDRRAB9AMAPTLMNAHTT
SCHEMBL5142685 0.80 KDR (0.49) RXFP1KDRRAB9AMAPTLMNA
SCHEMBL5142747 0.78 KDR (0.57) RXFP1KDRRAB9AMAPTLMNA
SCHEMBL5145822 0.77 KMT2A (0.50) KDRRAB9AMAPTLMNAHTT
SCHEMBL5142846 0.77 TP53 (0.50) RXFP1KDRRAB9AMAPTLMNA
SCHEMBL5144522 0.76 MAPT (0.54) CCR2RXFP1RXFP2RAB9AMAPT
SCHEMBL5142369 0.75 MAPT (0.56) RXFP1KDRRAB9AMAPTLMNA

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 CCR2 2265/4885RXFP1 4875/4885RXFP2 4856/4885

“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.