SCHEMBL880274

SCHEMBL880274

O=C1CC(c2cc3c(cc2Br)OCO3)c2ccc3ccccc3c2N1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
LMNA P02545 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 2/20 0.44
NTSR1 P30989 1/20 0.44
MEN1 O00255 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
SCHEMBL14047392 0.87 HSD17B10 (0.56) HSD17B10LMNASMN1; SMN2MAPTHTT
SCHEMBL880427 0.87 LMNA (0.56) HSD17B10LMNASMN1; SMN2MAPTHTT
SCHEMBL880299 0.86 LMNA (0.61) HSD17B10LMNASMN1; SMN2MAPTHTT
SCHEMBL880290 0.81 HSD17B10 (0.62) HSD17B10LMNASMN1; SMN2MAPTHTT
SCHEMBL880307 0.78 IDO1 (0.70) HSD17B10LMNASMN1; SMN2MAPTHTT
SCHEMBL13522397 0.75 MAPT (0.68) HSD17B10LMNASMN1; SMN2MAPTHTT
SCHEMBL10280611 0.74 MAPT (0.60) HSD17B10LMNASMN1; SMN2MAPTHTT
SCHEMBL852442 0.74 LMNA (0.72) HSD17B10LMNASMN1; SMN2MAPTHTT
SCHEMBL880251 0.74 LMNA (0.61) HSD17B10LMNASMN1; SMN2MAPTHTT
SCHEMBL880232 0.73 HSD17B10 (0.62) HSD17B10LMNASMN1; SMN2MAPTHTT

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
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 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-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 HSD17B10 3617/4885LMNA 3569/4885SMN1; SMN2 229/4885

“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.