SCHEMBL5144541

SCHEMBL5144541

O=C(Nc1cccc(C(F)(F)F)c1)/C(=C\c1ccc(C(F)(F)F)nc1)C(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.49
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NAMPT P43490 2/20 0.42
PABPC1 P11940 1/20 0.41
ERBB2 P04626 1/20 0.41
PLK4 O00444 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKCG P05129 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
LYN P07948 1/20 0.41

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
SCHEMBL5144544 1.00 BRAF (0.49) BRAFMAPTMEN1KMT2ANPC1
SCHEMBL5142373 0.88 ERBB2 (0.49) MAPTMEN1KMT2ANPC1TSHR
SCHEMBL5145694 0.86 TSHR (0.53) BRAFMEN1KMT2ATSHRCYP1A2
SCHEMBL5145698 0.86 TSHR (0.53) BRAFMEN1KMT2ATSHRCYP1A2
SCHEMBL5144564 0.82 SMARCA2 (0.48) MAPTMEN1KMT2ATSHRALDH1A1
SCHEMBL5144568 0.82 SMARCA2 (0.48) MAPTMEN1KMT2ATSHRALDH1A1
SCHEMBL5141400 0.82 AURKA (0.47) MAPTMEN1KMT2ANPC1POLB
SCHEMBL5141399 0.82 AURKA (0.47) MAPTMEN1KMT2ANPC1POLB
SCHEMBL5142340 0.79 MAPT (0.58) BRAFMAPTMEN1KMT2ANPC1
SCHEMBL9189502 0.79 MAPT (0.72) BRAFMAPTMEN1KMT2ANPC1

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 BRAF 282/4885MAPT 4733/4885MEN1 2893/4885

“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.