SCHEMBL6879503

SCHEMBL6879503

CCOC(=O)CC1Nc2ccccc2N(C)C1=O.CN1C(=O)C(CC(=O)O)Nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
MAPT P10636 5/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 5/20 0.42
CDC25A P30304 1/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL4421212 0.95 CYP1A2 (0.51) CYP1A2MAPTTSHRHSD17B10ALDH1A1
SCHEMBL4431229 0.89 GAA (0.49) MAPTALDH1A1CDC25AGAAMEN1
SCHEMBL5800676 0.89 GAA (0.49) MAPTALDH1A1CDC25AGAAMEN1
SCHEMBL28840532 0.75 KDM4E (0.51) MAPTHSD17B10ALDH1A1CDC25AGAA
SCHEMBL28840531 0.75 KDM4E (0.51) MAPTHSD17B10ALDH1A1CDC25AGAA
SCHEMBL31039941 0.75 KDM4E (0.51) MAPTHSD17B10ALDH1A1CDC25AGAA
SCHEMBL8998988 0.74 CYP1A2 (0.51) CYP1A2MAPTTSHRHSD17B10ALDH1A1
SCHEMBL4421203 0.72 ALDH1A1 (0.62) CYP1A2MAPTTSHRHSD17B10ALDH1A1
SCHEMBL7131232 0.71 CYP1A2 (0.55) CYP1A2HSD17B10ALDH1A1BRD4SMN1; SMN2
SCHEMBL11432168 0.71 CYP1A2 (0.51) CYP1A2MAPTTSHRHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 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-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK CYP1A2 3198/4885MAPT 4676/4885TSHR 3153/4885

“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.