SCHEMBL29779353

SCHEMBL29779353

CCOC(=O)/C=C(/N)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
MAOB P27338 3/20 0.44
CYP1A1 P04798 3/20 0.44
CYP1B1 Q16678 3/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
PTPN1 P18031 1/20 0.41
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11386447 1.00 NPSR1 (0.50) NPSR1EPHX2PPARGNR4A1NR4A2
SCHEMBL11386442 1.00 NPSR1 (0.50) NPSR1EPHX2PPARGNR4A1NR4A2
SCHEMBL3939718 0.85 NPSR1 (0.49) NPSR1EPHX2PPARGNR4A1NR4A2
SCHEMBL6381406 0.84 NR4A1 (0.62) NPSR1EPHX2PPARGNR4A1NR4A2
SCHEMBL6383098 0.84 NR4A1 (0.62) NPSR1EPHX2PPARGNR4A1NR4A2
SCHEMBL6381399 0.84 NR4A1 (0.62) NPSR1EPHX2PPARGNR4A1NR4A2
SCHEMBL11283149 0.83 CES2 (0.49) NPSR1CES2MAPTALDH1A1MEN1
SCHEMBL11283146 0.83 CES2 (0.49) NPSR1CES2MAPTALDH1A1MEN1
SCHEMBL20028730 0.83 MAPT (0.47) NPSR1EPHX2PPARGMAOBMAPT
SCHEMBL30189419 0.83 MAPT (0.47) NPSR1EPHX2PPARGMAOBMAPT

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-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 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-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES DPYD, TYMP, TYMS NPSR1 3151/4885EPHX2 698/4885PPARG 2412/4885

“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.