SCHEMBL6907223

SCHEMBL6907223

O=CNC(=O)CNc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 4/20 0.54
ERCC4 Q92889 4/20 0.54
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GRK2 P25098 2/20 0.48
ROCK2 O75116 1/20 0.48
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
RAB9A P51151 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
HPGD P15428 1/20 0.43
HDAC1 Q13547 1/20 0.42
AKR1C3 P42330 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
SCHEMBL6907436 0.83 ERCC1 (0.45) ERCC1ERCC4ALDH1A1GAAKDM4E
SCHEMBL6901554 0.81 ALDH1A1 (0.45) ERCC1ERCC4ALDH1A1LMNAGAA
SCHEMBL10940870 0.80 ERCC1 (0.50) ERCC1ERCC4ALDH1A1LMNAGAA
SCHEMBL1623733 0.78 ERCC1 (0.54) ERCC1ERCC4ALDH1A1LMNAGAA
SCHEMBL1561387 0.78 MAPT (0.70) ERCC1ERCC4ALDH1A1LMNAGAA
SCHEMBL1174341 0.76 PKM (0.56) ERCC1ERCC4ALDH1A1LMNAGAA
Formic Acid SCHEMBL27673873 0.76 ABAT (0.47) ERCC1ERCC4ALDH1A1LMNAGAA
SCHEMBL26333385 0.76 ERCC1 (0.53) ERCC1ERCC4ALDH1A1LMNAGAA
SCHEMBL2318554 0.76 L3MBTL1 (0.58) ERCC1ERCC4ALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL11858514 0.76 MAPT (0.68) ERCC1ERCC4ALDH1A1LMNAGAA

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 ERCC1 3009/4885ERCC4 2755/4885ALDH1A1 1110/4885

“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.