SCHEMBL6018151

SCHEMBL6018151

O=CNCC(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.53
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAOB P27338 1/20 0.50
HTT P42858 1/20 0.50
KDM1A O60341 1/20 0.49
GAA P10253 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
TP53 P04637 1/20 0.48
EPHX1 P07099 1/20 0.48
TSHR P16473 1/20 0.48
CDK9 P50750 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL17183940 0.87 MAOB (0.50) EPHX2MAPTMEN1KMT2AL3MBTL1
SCHEMBL25733674 0.84 CA12 (0.49) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL6907438 0.83 CYP1A1 (0.53) MAPTMEN1KMT2AL3MBTL1MAOB
SCHEMBL5640251 0.81 GAA (0.56) MEN1KMT2AGAATP53SMN1; SMN2
SCHEMBL6901558 0.81 ALDH1A1 (0.53) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL23660445 0.81 EPHX2 (0.53) EPHX2MAPTMEN1KMT2AL3MBTL1
SCHEMBL20051422 0.80 MEN1 (0.47) MEN1KMT2AHTTGAALMNA
SCHEMBL7141734 0.80 MEN1 (0.68) MAPTMEN1KMT2AHTTTSHR
SCHEMBL4529276 0.78 CA1 (0.63) EPHX2MAPTMEN1KMT2AL3MBTL1
SCHEMBL8520467 0.78 KDM4E (0.59) EPHX2MAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6824786-B2 TOPICAL APPLYING COSMETIC YU RUEY J (US) 2004-11-30 US claimed
EP-1455734-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES Yu, Ruey J., Dr. (US) 2004-09-15 EP claimed
US-20030108496-A1 Compositions comprising phenyl-glycine derivatives YU RUEY J (US) 2003-06-12 US claimed
WO-2003045338-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES YU RUEY J (US) 2003-06-05 WO claimed
US-7129059-B2 Process for the preparation of compounds with enhanced optical purity DSM IP ASSETS B.V. (NL) 2006-10-31 US disclosed
US-20060127997-A1 Process for the preparation of compounds with enhanced optical purity QUAEDFLIEG PETER J L 2006-06-15 US disclosed
EP-1141333-B1 PROCESS FOR THE ENZYMATIC PREPARATION OF AMINO ACID DERIVATIVES WITH ENHANCED OPTICAL PURITY DSM IP ASSETS BV (NL) 2006-06-14 EP disclosed
US-6824786-B2 TOPICAL APPLYING COSMETIC YU RUEY J (US) 2004-11-30 US disclosed
EP-1455734-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES Yu, Ruey J., Dr. (US) 2004-09-15 EP disclosed
US-20030108496-A1 Compositions comprising phenyl-glycine derivatives YU RUEY J (US) 2003-06-12 US disclosed
WO-2003045338-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES YU RUEY J (US) 2003-06-05 WO disclosed
EP-0584461-A1 5-Haloimidazoles BAYER AG (DE) 1994-03-02 EP 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-20030108496-A1 Compositions comprising phenyl-glycine derivatives GRHPR, ARL1, SUCLG1 EPHX2 1289/4885MAPT 4452/4885MEN1 3723/4885

“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.