SCHEMBL5145757

SCHEMBL5145757

O=C(Nc1cccc(Cl)c1)C(=Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 5/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 3/20 0.53
HSP90AA1 P07900 1/20 0.53
PKM P14618 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SLC2A1 P11166 1/20 0.50
P2RX1 P51575 1/20 0.50
P2RX4 Q99571 1/20 0.50
P2RX7 Q99572 1/20 0.50
TMPRSS4 Q9NRS4 1/20 0.50
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL5142706 0.95 MAPT (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5142680 0.86 MAPT (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5142735 0.86 MAPT (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5142732 0.84 MAPT (0.62) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5142369 0.84 MAPT (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5141419 0.84 KMT2A (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5141422 0.84 KMT2A (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5142353 0.81 SLC2A1 (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5142354 0.81 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5142747 0.80 KDR (0.57) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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 1674/4885MAPT 4733/4885

“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.