SCHEMBL6092820

SCHEMBL6092820

COc1ccc(-c2cccs2)c(OC)c1C(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
HTT P42858 2/20 0.43
ERN1 O75460 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ABCB1 P08183 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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
SCHEMBL6094282 0.84 TNFRSF1A (0.44) LMNAMAPTERN1MEN1KMT2A
SCHEMBL6093492 0.83 ERN1 (0.43) LMNAMAPTHTTERN1KDM4E
SCHEMBL6094177 0.83 MAPT (0.48) MAPTERN1RAB9AKDM4ESMN1; SMN2
SCHEMBL6091847 0.80 ABCB1 (0.41) ALDH1A1LMNAMAPTHTTERN1
SCHEMBL6093079 0.79 ABCB1 (0.48) ALDH1A1LMNAMAPTRAB9AMEN1
SCHEMBL6091905 0.79 LMNA (0.51) ALDH1A1LMNAMAPTGAAPKM
SCHEMBL6093002 0.79 PPARA (0.42) MAPTERN1KDM4ESMN1; SMN2
SCHEMBL6091675 0.78 KDM4E (0.52) ALDH1A1MAPTGAAPKMERN1
SCHEMBL6091000 0.78 SLC6A9 (0.41) ALDH1A1LMNAMAPTGAAERN1
SCHEMBL6092590 0.77 ERN1 (0.41) ALDH1A1LMNAMAPTGAAERN1

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 2 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 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 ALDH1A1 159/4885LMNA 1688/4885MAPT 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.