SCHEMBL6601795

SCHEMBL6601795

Cc1nsnc1C(=NO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
GFER P55789 2/20 0.43
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
XBP1 P17861 1/20 0.37
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
RECQL P46063 1/20 0.36
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL15372850 1.00 ALDH1A1 (0.43) ALDH1A1HPGDGFERMAPTNPSR1
SCHEMBL6601791 1.00 ALDH1A1 (0.43) ALDH1A1HPGDGFERMAPTNPSR1
SCHEMBL7464834 0.83 ESR1 (0.35) ALDH1A1HPGDGFERMAPTNPSR1
SCHEMBL7464831 0.83 ESR1 (0.35) ALDH1A1HPGDGFERMAPTNPSR1
SCHEMBL2484545 0.76 ALDH1A1 (0.46) ALDH1A1HPGDMAPTNPSR1L3MBTL1
SCHEMBL6587279 0.71 PKM (0.46) ALDH1A1HPGDGFERMAPTNPSR1
SCHEMBL6587272 0.71 PKM (0.46) ALDH1A1HPGDGFERMAPTNPSR1
SCHEMBL6588745 0.71 PKM (0.46) ALDH1A1HPGDGFERMAPTNPSR1
SCHEMBL273196 0.71 HPGD (0.64) ALDH1A1HPGDGFERMAPTNPSR1
SCHEMBL27961040 0.71 HPGD (0.64) ALDH1A1HPGDGFERMAPTNPSR1

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-8580799-B2 Fungicide hydroximoyl-heterocycles derivatives BAYER CROPSCIENCE AG (DE) 2013-11-12 US disclosed
US-20110294829-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
EP-1038874-B1 OXIME DERIVATIVES AND AGRICULTURAL CHEMICALS CONTAINING THE SAME DAINIPPON INK & CHEMICALS (JP) 2004-03-03 EP disclosed
US-6340697-B1 PESTICIDES, PLANT DISEASE CONTROL AGENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-01-22 US disclosed
EP-1038874-A1 OXIME DERIVATIVES AND AGRICULTURAL CHEMICALS CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-27 EP 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-20110294829-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES HAAO, HPD, HAO1 ALDH1A1 1606/4885HPGD 890/4885GFER 1181/4885

“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.