SCHEMBL4480930

SCHEMBL4480930

COc1ccc(NC(C)=O)c(C(=O)CCl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.54
MAPT P10636 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
LMNA P02545 4/20 0.51
RAB9A P51151 3/20 0.51
MITF O75030 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.47
TYK2 P29597 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL1998117 0.88 RAB9A (0.51) OR51E2MAPTMEN1KMT2ALMNA
SCHEMBL20556460 0.85 OR51E2 (0.75) OR51E2LMNAHSD17B1HSD17B2HTT
SCHEMBL1026559 0.83 ALDH1A1 (0.59) OR51E2MAPTMEN1KMT2ALMNA
SCHEMBL11374252 0.81 MAPT (0.62) MAPTMEN1KMT2ALMNAHSD17B1
SCHEMBL9640865 0.81 OR51E2 (0.47) OR51E2MAPTMEN1KMT2ALMNA
SCHEMBL7035785 0.80 HSD17B1 (0.56) MAPTMEN1KMT2ALMNAHSD17B1
SCHEMBL17165499 0.79 POLB (0.64) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL2855386 0.78 MAPT (0.62) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL30567224 0.78 MAPT (0.62) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL5624874 0.76 RAB9A (0.66) MAPTMEN1KMT2ALMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531568-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-05-12 US disclosed
US-7531568-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-05-12 US disclosed
US-7531568-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-05-12 US disclosed
EP-1819673-A2 INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-08-22 EP disclosed
WO-2006060456-A2 INDOLE DERIVATIVES FOR USE AS PPAR PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-06-08 WO disclosed
US-20060116416-A1 PPAR active compounds PLEXXIKON, INC 2006-06-01 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-20060116416-A1 PPAR active compounds PPARG, PPARA, PPARD OR51E2 2834/4885MAPT 4530/4885MEN1 4864/4885

“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.