SCHEMBL2849115

SCHEMBL2849115

COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])C1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
ADORA3 P0DMS8 7/20 0.66
CYP1A2 P05177 7/20 0.66
CYP3A4 P08684 6/20 0.66
CYP2C9 P11712 6/20 0.66
CYP2C19 P33261 6/20 0.66
KMT2A Q03164 6/20 0.66
CACNA1C Q13936 5/20 0.66
TSHR P16473 5/20 0.66
MEN1 O00255 5/20 0.66
NFKB1 P19838 4/20 0.66
CYP2D6 P10635 3/20 0.66
HIF1A Q16665 4/20 0.63
CACNA1F O60840 3/20 0.63
CACNA1D Q01668 3/20 0.63
CACNA1S Q13698 3/20 0.63
LMNA P02545 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
MAPK1 P28482 2/20 0.63
THPO P40225 2/20 0.63

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
SCHEMBL2849117 1.00 MAPT (0.66) MAPTADORA3CYP1A2CYP3A4CYP2C9
SCHEMBL10759532 0.88 MAPT (0.58) MAPTADORA3CYP1A2CYP3A4CYP2C9
SCHEMBL10626040 0.88 CYP1A2 (0.61) MAPTADORA3CYP1A2CYP3A4CYP2C9
SCHEMBL8680780 0.87 ADORA3 (0.67) MAPTADORA3CYP1A2CYP3A4CYP2C9
SCHEMBL10661614 0.87 CYP3A4 (0.57) MAPTADORA3CYP1A2CYP3A4CYP2C9
SCHEMBL9501269 0.87 HIF1A (0.76) MAPTADORA3CYP1A2CYP3A4CYP2C9
SCHEMBL27286151 0.86 MAPT (0.55) MAPTADORA3CYP1A2CYP3A4CYP2C9
SCHEMBL11004460 0.86 CYP1A2 (0.59) MAPTADORA3CYP1A2CYP3A4CYP2C9
SCHEMBL26036353 0.85 ADORA3 (0.73) MAPTADORA3CYP1A2CYP3A4CYP2C9
SCHEMBL3905675 0.84 ADORA3 (0.83) MAPTADORA3CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 US claimed
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 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-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION IAPP, PNLIP, GPR119 MAPT 2817/4885ADORA3 2848/4885CYP1A2 4857/4885

“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.