SCHEMBL5144575

SCHEMBL5144575

O=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1ccncc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.55
BRAF P15056 1/20 0.55
MAPK14 Q16539 1/20 0.55
TNNI3K Q59H18 1/20 0.55
GRK2 P25098 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
TSHR P16473 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAPT P10636 4/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.51
PKM P14618 2/20 0.51
HSP90AA1 P07900 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
IDE P14735 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPK10 P53779 1/20 0.51
ALDH1A1 P00352 3/20 0.50

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
SCHEMBL5142732 0.88 MAPT (0.62) KMT2AMEN1RXFP1MAPTHTT
SCHEMBL5142680 0.85 MAPT (0.54) KDRKMT2AMEN1RXFP1MAPT
SCHEMBL5142386 0.85 MAPT (0.54) KMT2AMEN1RXFP1MAPTHTT
SCHEMBL5145891 0.85 MAPT (0.55) KMT2AMEN1RXFP1MAPTHTT
SCHEMBL5142364 0.82 MEN1 (0.50) KDRMAPK14KMT2AMEN1TSHR
SCHEMBL5142735 0.82 MAPT (0.51) KDRKMT2AMEN1MAPTHTT
SCHEMBL5144533 0.82 KMT2A (0.49) KDRKMT2AMEN1RXFP1MAPT
SCHEMBL5144534 0.82 KMT2A (0.49) KDRKMT2AMEN1RXFP1MAPT
SCHEMBL5144571 0.81 THRB (0.50) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL5144537 0.81 GAA (0.61) KMT2AMEN1RXFP1MAPTHTT

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 2936/4885BRAF 282/4885MAPK14 99/4885

“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.