SCHEMBL13656540

SCHEMBL13656540

C=CCOCCCn1nc(-c2ccc(Cl)cn2)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
POLB P06746 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A2 P05177 1/20 0.33
KCNH2 Q12809 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL13656326 0.84 MEN1 (0.41) KDM4EMEN1KMT2ATSHRHRH3
SCHEMBL13649501 0.83 TSHR (0.32) KDM4EMEN1KMT2ATSHRPOLB
SCHEMBL13656406 0.81 MEN1 (0.39) KDM4EMEN1KMT2ATSHRHRH3
SCHEMBL13656285 0.79 POLB (0.39) KDM4EMEN1KMT2ATSHRPOLB
SCHEMBL13656286 0.78 MEN1 (0.43) KDM4EMEN1KMT2ATSHRHRH3
SCHEMBL13656470 0.77 MEN1 (0.42) KDM4EMEN1KMT2ATSHRHRH3
SCHEMBL13656507 0.77 MEN1 (0.42) KDM4EMEN1KMT2ATSHRHRH3
SCHEMBL13656325 0.76 MEN1 (0.44) MEN1KMT2ATSHRPOLBHSD17B10
SCHEMBL13656542 0.75 TSHR (0.43) KDM4EMEN1KMT2ATSHRPOLB
SCHEMBL13656283 0.75 TSHR (0.43) KDM4EMEN1KMT2ATSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253708-A1 2-ALKYNYL-6-PYRIDIN-2-YL-PYRIDAZINONES, 2-ALKYNYL-6-PYRIDIN-2-YL-DIHYDROPYRIDAZINONES, 2-ALKYNYL-6-PYRIMIDIN-2-YL-PYRIDAZINONES AND 2-ALKYNYL-6-PYRIMIDIN-2-YL-DIHYDROPYRIDAZINONES AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2009-10-08 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-20090253708-A1 2-ALKYNYL-6-PYRIDIN-2-YL-PYRIDAZINONES, 2-ALKYNYL-6-PYRIDIN-2-YL-DIHYDROPYRIDAZINONES, 2-ALKYNYL-6-PYRIMIDIN-2-YL-PYRIDAZINONES AND 2-ALKYNYL-6-PYRIMIDIN-2-YL-DIHYDROPYRIDAZINONES AND THEIR USE AS FUNGICIDES PDXK, DPM1, PNPO KDM4E 560/4885MEN1 2822/4885KMT2A 1598/4885

“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.