SCHEMBL5144533

SCHEMBL5144533

O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1ccccc1)C(=O)Nc1ccnc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SMARCA2 P51531 1/20 0.47
SMARCA4 P51532 1/20 0.47
LMNA P02545 2/20 0.46
HSP90AA1 P07900 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PKM P14618 1/20 0.46
ERBB2 P04626 1/20 0.46
KDR P35968 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
KCNK3 O14649 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL5144534 1.00 KMT2A (0.49) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL5141422 0.95 KMT2A (0.50) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL5141419 0.95 KMT2A (0.50) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL5142605 0.93 ERBB2 (0.48) KMT2AMAPTMEN1SMARCA2SMARCA4
SCHEMBL5142608 0.93 ERBB2 (0.48) KMT2AMAPTMEN1SMARCA2SMARCA4
SCHEMBL5142698 0.90 KMT2A (0.52) KMT2AMAPTMEN1SMARCA2SMARCA4
SCHEMBL5142700 0.90 KMT2A (0.52) KMT2AMAPTMEN1SMARCA2SMARCA4
SCHEMBL5142370 0.89 ERBB2 (0.45) KMT2AMAPTMEN1SMARCA2SMARCA4
SCHEMBL5142372 0.89 ERBB2 (0.45) KMT2AMAPTMEN1SMARCA2SMARCA4
SCHEMBL5142699 0.89 KCNQ3 (0.48) KMT2AMAPTMEN1HTTRAB9A

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 KMT2A 1674/4885MAPT 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.