SCHEMBL883077

SCHEMBL883077

COc1ncnc2c1CCCC2=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
DRD1 P21728 2/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BRD4 O60885 4/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
PDPK1 O15530 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL19152985 0.77 KDM4E (0.38) ALDH1A1DRD1BRD4KDM4EHSD17B10
SCHEMBL19131796 0.76 HPGD (0.35) ALDH1A1DRD1NPSR1KDM4EHSD17B10
SCHEMBL18237668 0.72 POLB (0.33) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL10286613 0.71 ALDH1A1 (0.42) ALDH1A1MAPTNPSR1BRD4KDM4E
SCHEMBL10286623 0.71 BRD4 (0.39) ALDH1A1MAPTNPSR1BRD4KDM4E
SCHEMBL10286620 0.70 ALDH1A1 (0.39) ALDH1A1MAPTNPSR1BRD4KDM4E
SCHEMBL10286198 0.68 ALDH1A1 (0.42) ALDH1A1MAPTNPSR1BRD4KDM4E
SCHEMBL20478507 0.66 KDM4E (0.46) ALDH1A1MAPTNPSR1BRD4KDM4E
SCHEMBL883075 0.66 KDM4E (0.35) ALDH1A1BRD4KDM4EHSD17B10HPGD
SCHEMBL10286587 0.66 PLK1 (0.33) ALDH1A1MAPTBRD4KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
WO-2013139822-A1 NOVEL BISOXIME MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-09-26 WO disclosed
EP-2641901-A1 Novel microbiocides Syngenta Participations AG. (CH) 2013-09-25 EP disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 ALDH1A1 1154/4885DRD1 32/4885MAPT 4566/4885

“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.