SCHEMBL13568635

SCHEMBL13568635

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ASF1A Q9Y294 1/20 0.45
THRB P10828 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.31

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
SCHEMBL13088020 0.87 CA1 (0.46) CA1CA2CA9ASF1ATHRB
SCHEMBL13088120 0.86 ASF1A (0.45) CA1CA2CA9ASF1ATHRB
SCHEMBL12731307 0.84 ASF1A (0.44) CA1CA2CA9ASF1ATHRB
SCHEMBL4117677 0.84 ASF1A (0.47) CA1CA2CA9ASF1ATHRB
SCHEMBL13568633 0.82 ASF1A (0.43) CA1CA2CA9ASF1ATHRB
SCHEMBL13088010 0.80 ALDH1A1 (0.44) CA1CA2CA9ASF1ATHRB
SCHEMBL12731327 0.79 THRB (0.63) CA1CA2CA9ASF1ATHRB
SCHEMBL13087935 0.79 KDM4E (0.59) CA1CA2CA9ASF1ATHRB
SCHEMBL13087887 0.77 ASF1A (0.64) CA1CA2CA9ASF1AALDH1A1
SCHEMBL13088141 0.77 ALDH1A1 (0.55) CA1CA2CA9ASF1ATHRB

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 CA1 2501/4885CA2 1552/4885CA9 1289/4885

“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.