SCHEMBL5142346

SCHEMBL5142346

CC(C)c1ccc(/C=C(/C(=O)Nc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
ERBB2 P04626 1/20 0.47
KCNJ6 P48051 2/20 0.47
KCNJ5 P48544 2/20 0.47
KCNJ3 P48549 2/20 0.47
TP53 P04637 4/20 0.46
LMNA P02545 4/20 0.46
HSP90AA1 P07900 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL5142347 1.00 MAPT (0.54) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL14573797 1.00 MAPT (0.54) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5141404 0.97 SMN1; SMN2 (0.50) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5142336 0.92 AKR1C3 (0.47) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5142337 0.92 AKR1C3 (0.47) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5142335 0.92 AKR1C3 (0.47) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5141427 0.89 MAPT (0.48) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5141423 0.89 MAPT (0.48) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5142694 0.89 LMNA (0.57) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL5142696 0.89 LMNA (0.57) MAPTMEN1KMT2AHTTSMN1; 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 6 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
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
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 MAPT 4733/4885MEN1 2893/4885KMT2A 1674/4885

“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.