SCHEMBL13568633

SCHEMBL13568633

CC(C)C/C=N/NC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ASF1A Q9Y294 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
CTSK P43235 1/20 0.35
THRB P10828 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL13568635 0.82 CA1 (0.50) ASF1ACA1CA2CA9KDM4E
SCHEMBL13088120 0.82 ASF1A (0.45) ASF1ACA1CA2CA9KDM4E
SCHEMBL12731307 0.80 ASF1A (0.44) ASF1ACA1CA2CA9KDM4E
SCHEMBL4117677 0.80 ASF1A (0.47) ASF1ACA1CA2CA9KDM4E
SCHEMBL13088020 0.79 CA1 (0.46) ASF1ACA1CA2CA9KDM4E
SCHEMBL13302589 0.78 ASF1A (0.36) ASF1ACA1CA2CA9KDM4E
SCHEMBL28380646 0.77
SCHEMBL437433 0.77
SCHEMBL13088010 0.77 ALDH1A1 (0.44) ASF1ACA1CA2CA9KDM4E
SCHEMBL9921382 0.77 KMT2A (0.43) MAPK1KDM4EKMT2AGAAMEN1

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
WO-2009146079-A2 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2009-12-03 WO disclosed
US-20090246293-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2009-10-01 US disclosed
US-20090246293-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2009-10-01 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-20090246293-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS ERG28, DPM1, CYP51A1 ASF1A 1476/4885CA1 2501/4885CA2 1552/4885

“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.