SCHEMBL6092294

SCHEMBL6092294

C=C(C(=O)c1ccc(Nc2ncccc2C(=O)OCC)cc1)c1cc(-c2cccs2)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 7/20 0.45
HDAC1 Q13547 4/20 0.42
MAPT P10636 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.39
HDAC2 Q92769 2/20 0.38
TSHR P16473 1/20 0.38

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 0.89 RAB9A (0.50) TNFRSF1AHDAC1MAPTNPC1RAB9A
SCHEMBL6093633 0.86 HDAC1 (0.46) TNFRSF1AHDAC1KMT2AHDAC2ALDH1A1
SCHEMBL6091479 0.86 TNFRSF1A (0.43) TNFRSF1AHDAC1MAPTNPC1RAB9A
SCHEMBL6092244 0.79 TNFRSF1A (0.44) TNFRSF1AHDAC1KMT2AHDAC2ALDH1A1
SCHEMBL6092061 0.79 TNFRSF1A (0.51) TNFRSF1AHDAC1MAPTNPC1RAB9A
SCHEMBL6092896 0.77 TNFRSF1A (0.52) TNFRSF1AHDAC1KMT2AHDAC2ALDH1A1
SCHEMBL6093064 0.76 TNFRSF1A (0.52) TNFRSF1AKMT2AALDH1A1
SCHEMBL6040654 0.76 TNFRSF1A (0.52) TNFRSF1AKMT2AALDH1A1
SCHEMBL6091657 0.76 TNFRSF1A (0.46) TNFRSF1AHDAC1MAPTKMT2AHDAC2
SCHEMBL6092306 0.76 RAB9A (0.49) TNFRSF1AHDAC1MAPTNPC1RAB9A

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-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
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ABCB11, CEL, CYP46A1 TNFRSF1A 4880/4885HDAC1 1097/4885MAPT 1784/4885

“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.