SCHEMBL5142364

SCHEMBL5142364

Cc1cncc(C=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
LMNA P02545 4/20 0.48
RECQL P46063 1/20 0.48
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 4/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSP90AA1 P07900 1/20 0.46
PKM P14618 1/20 0.46
ERBB2 P04626 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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 0.84 MAPT (0.54) MEN1KMT2ALMNATP53MAPT
SCHEMBL5144575 0.82 KDR (0.55) MEN1KMT2ALMNATSHRMAPT
SCHEMBL5142732 0.80 MAPT (0.62) MEN1KMT2ALMNATP53MAPT
SCHEMBL5141405 0.79 LMNA (0.54) MEN1KMT2ALMNARECQLTP53
SCHEMBL5142373 0.78 ERBB2 (0.49) MEN1KMT2ALMNARECQLTSHR
SCHEMBL5145891 0.77 MAPT (0.55) MEN1KMT2ALMNARECQLTP53
SCHEMBL5142680 0.77 MAPT (0.54) MEN1KMT2ALMNAMAPTHTT
SCHEMBL5142735 0.77 MAPT (0.51) MEN1KMT2ALMNATP53MAPT
SCHEMBL5144571 0.77 THRB (0.50) MEN1KMT2ALMNARECQLTP53
SCHEMBL5144537 0.77 GAA (0.61) MEN1KMT2ALMNAMAPTHTT

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 MEN1 2893/4885KMT2A 1674/4885LMNA 458/4885

“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.