SCHEMBL6093536

SCHEMBL6093536

COc1ccc(-c2cccs2)cc1C(C=O)=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 12/20 0.45
ABCB1 P08183 2/20 0.45
ABCC1 P33527 1/20 0.44
PTGS2 P35354 2/20 0.42
CYP19A1 P11511 1/20 0.42
ERN1 O75460 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
POLB P06746 1/20 0.39

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
SCHEMBL6093062 0.86 TNFRSF1A (0.48) TNFRSF1AERN1MEN1KMT2AALDH1A1
SCHEMBL6094130 0.85 TNFRSF1A (0.52) TNFRSF1AERN1MEN1KMT2AALDH1A1
SCHEMBL6091522 0.85 TNFRSF1A (0.47) TNFRSF1AERN1MEN1KMT2AALDH1A1
SCHEMBL6094028 0.85 TNFRSF1A (0.49) TNFRSF1AERN1MEN1KMT2AALDH1A1
SCHEMBL6093297 0.82 TNFRSF1A (0.52) TNFRSF1AABCB1ABCC1ERN1
SCHEMBL6092258 0.80 TNFRSF1A (0.44) TNFRSF1AERN1MEN1KMT2ANPC1
SCHEMBL6092824 0.80 TNFRSF1A (0.51) TNFRSF1AERN1MEN1KMT2ANPC1
SCHEMBL6093627 0.79 TNFRSF1A (0.45) TNFRSF1AERN1MEN1KMT2AALDH1A1
SCHEMBL6095256 0.78 TNFRSF1A (0.47) TNFRSF1AERN1MEN1KMT2AALDH1A1
SCHEMBL6093079 0.78 ABCB1 (0.48) TNFRSF1AABCB1ABCC1MEN1KMT2A

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 4880/4885ABCB1 26/4885ABCC1 311/4885

“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.