SCHEMBL3511814

SCHEMBL3511814

CC(C)OC(=O)c1ncccc1C(=O)C=CN(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.45
▸ HTT P42858 4/20 0.45
▸ GAA P10253 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ELANE P08246 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL3511811 1.00 MAPT (0.45) MAPTHTTGAALMNAKMT2A
SCHEMBL2327657 0.82 BRD4 (0.49) MAPTHTTGAALMNAKMT2A
SCHEMBL2327661 0.82 BRD4 (0.49) MAPTHTTGAALMNAKMT2A
SCHEMBL28241780 0.80 MAPT (0.50) MAPTHTTGAALMNAKMT2A
SCHEMBL4147133 0.78 KDM4E (0.61) MAPTGAALMNAKMT2APOLB
SCHEMBL8304460 0.77 MAPT (0.48) MAPTHTTGAALMNAKMT2A
SCHEMBL8304463 0.77 MAPT (0.48) MAPTHTTGAALMNAKMT2A
SCHEMBL4069169 0.76 MAPT (0.45) MAPTHTTGAALMNAKMT2A
SCHEMBL22719323 0.75 ALDH1A1 (0.57) MAPTHTTGAALMNAPOLB
SCHEMBL22719324 0.75 ALDH1A1 (0.57) MAPTHTTGAALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137309-A1 FUNGICIDES PHENYL-PYRIMIDNYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-06-03 — — US disclosed
EP-2155713-A1 FUNGICIDES PHENYL-PYRIMDINYL-AMINO DERIVATIVES Bayer CropScience SA (FR) 2010-02-24 — — EP disclosed
WO-2008138992-A1 FUNGICIDES PHENYL-PYRIMDINYL-AMINO DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-11-20 — — 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-20100137309-A1 FUNGICIDES PHENYL-PYRIMIDNYL-AMINO DERIVATIVES CYP1A1, CYP1A2, PAH MAPT 2562/4885HTT 1553/4885GAA 1558/4885

“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.

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