SCHEMBL6093633

SCHEMBL6093633

C=C(C(=O)c1ccc(Nc2ncccn2)cc1)c1cc(-c2cccs2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.46
TNFRSF1A P19438 14/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC2 Q92769 2/20 0.42
SYK P43405 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
SCHEMBL6093001 0.88 RAB9A (0.50) HDAC1TNFRSF1AMEN1ALDH1A1KMT2A
SCHEMBL6092244 0.88 TNFRSF1A (0.44) HDAC1TNFRSF1AKDM4EMEN1ALDH1A1
SCHEMBL6092294 0.86 TNFRSF1A (0.45) HDAC1TNFRSF1AALDH1A1KMT2AHDAC2
SCHEMBL6092061 0.84 TNFRSF1A (0.51) HDAC1TNFRSF1AKDM4EMEN1ALDH1A1
SCHEMBL6093064 0.83 TNFRSF1A (0.52) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6040654 0.83 TNFRSF1A (0.52) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6091657 0.83 TNFRSF1A (0.46) HDAC1TNFRSF1AKDM4EMEN1ALDH1A1
SCHEMBL6094667 0.82 HDAC1 (0.47) HDAC1TNFRSF1AKDM4EMEN1ALDH1A1
SCHEMBL6092896 0.82 TNFRSF1A (0.52) HDAC1TNFRSF1AKDM4EMEN1ALDH1A1
SCHEMBL6092892 0.82 TNFRSF1A (0.53) HDAC1TNFRSF1AKDM4EMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US claimed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 WO claimed
US-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US 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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ABCB11, CEL, CYP46A1 HDAC1 1097/4885TNFRSF1A 4880/4885KDM4E 1931/4885

“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.