SCHEMBL6901554

SCHEMBL6901554

O=CNC(=O)CNc1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
ERCC1 P07992 3/20 0.44
ERCC4 Q92889 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SYK P43405 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NLRP3 Q96P20 6/20 0.42
AURKA O14965 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK3 Q00526 1/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6907223 0.81 ERCC1 (0.54) ALDH1A1ERCC1ERCC4GAAMAPT
SCHEMBL21834459 0.80 ALDH1A1 (0.51) ALDH1A1CYP1A2ERCC1ERCC4GAA
SCHEMBL11319121 0.80 SYK (0.59) ALDH1A1CYP1A2GAAMAPTSYK
SCHEMBL6907436 0.80 ERCC1 (0.45) ALDH1A1CYP1A2ERCC1ERCC4GAA
SCHEMBL150832 0.78 CYP3A4 (0.52) ALDH1A1CYP1A2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL11309314 0.78 CYP3A4 (0.52) ALDH1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL11627982 0.77 ERCC1 (0.48) ALDH1A1CYP1A2ERCC1ERCC4GAA
SCHEMBL6907026 0.77 ALDH1A1 (0.57) ALDH1A1CYP1A2GAAMAPTSYK
SCHEMBL6905017 0.77 MEN1 (0.50) ALDH1A1MEN1KMT2ALMNACYP3A4
SCHEMBL6907375 0.76 ALDH1A1 (0.47) ALDH1A1CYP1A2GAAMAPTSYK

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 8 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-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

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 ALDH1A1 1110/4885CYP1A2 3234/4885ERCC1 3009/4885

“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.