SCHEMBL4908008

SCHEMBL4908008

COC(=O)C1=NN(c2ccccc2)C(=O)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.72
POLB P06746 3/20 0.69
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 4/20 0.55
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP1A2 P05177 1/20 0.55
CHRM2 P08172 1/20 0.55
CYP3A4 P08684 1/20 0.55
CHRM1 P11229 1/20 0.55
TSHR P16473 1/20 0.55
PTGS1 P23219 1/20 0.55
DRD3 P35462 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
RECQL P46063 2/20 0.52

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
SCHEMBL22670521 0.85 MEN1 (0.62) GAAPOLBALDH1A1L3MBTL1MEN1
SCHEMBL3407816 0.84 GAA (1.00) GAAPOLBALDH1A1L3MBTL1MEN1
Methyl Alcohol SCHEMBL11812087 0.83 GAA (0.97) GAAPOLBALDH1A1L3MBTL1MEN1
SCHEMBL3408946 0.82 POLB (1.00) GAAPOLBALDH1A1L3MBTL1MEN1
SCHEMBL5359166 0.82 MAPT (0.52) GAAPOLBALDH1A1L3MBTL1MEN1
SCHEMBL2218027 0.82 KDM4E (0.52) GAAPOLBALDH1A1L3MBTL1MEN1
SCHEMBL14350872 0.82 MAPT (0.52) GAAPOLBALDH1A1L3MBTL1MEN1
SCHEMBL14338601 0.81 KDM4E (0.54) GAAPOLBALDH1A1L3MBTL1MEN1
SCHEMBL2857386 0.80 POLB (0.76) GAAPOLBALDH1A1L3MBTL1MEN1
SCHEMBL12194201 0.79 POLB (0.69) GAAPOLBALDH1A1L3MBTL1MEN1

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-20080269293-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER INC. 2008-10-30 US disclosed
WO-2008023235-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER PRODUCTS INC. (US) 2008-02-28 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-20080269293-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS P2RY1, P2RY11, P2RX7 GAA 3831/4885POLB 3973/4885ALDH1A1 1380/4885

“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.