SCHEMBL448095

SCHEMBL448095

COc1ccccc1C1=NOC(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
NOTUM Q6P988 1/20 0.42
C1R P00736 1/20 0.41
NPC1 O15118 1/20 0.41
CA12 O43570 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
METAP2 P50579 1/20 0.41
KMT2A Q03164 2/20 0.40
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
PTGS2 P35354 1/20 0.40
APP P05067 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
DUSP3 P51452 1/20 0.40

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
SCHEMBL11963991 0.72 NOTUM (0.44) NOTUMNPC1RAB9AALDH1A1PTPN1
SCHEMBL40959 0.72 GAA (0.48) NOTUMNPC1RAB9AALDH1A1KMT2A
SCHEMBL14373829 0.70 NOTUM (0.62) PDCD1CD274NOTUMNPC1RAB9A
SCHEMBL20267436 0.70 ALDH1A1 (0.43) CRBNPDCD1CD274NPC1CA12
SCHEMBL4763654 0.70 ALDH1A1 (0.47) CRBNPDCD1CD274NPC1RAB9A
SCHEMBL11963997 0.70 NOTUM (0.41) NOTUMNPC1RAB9AALDH1A1KMT2A
SCHEMBL181974 0.70 NOTUM (0.67) PDCD1CD274NOTUMNPC1RAB9A
SCHEMBL18228978 0.67 ALDH1A1 (0.50) C1RCA12RAB9AALDH1A1KMT2A
SCHEMBL29788337 0.67 CA1 (0.71) CA12RAB9AALDH1A1METAP2KMT2A
SCHEMBL301996 0.67 CA1 (0.71) CA12RAB9AALDH1A1METAP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065063-A1 3-Aryl-4-(2,6-dimethylbenzylidene)isoxazol-5(4H)-ones as Fungicides BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
WO-2011161034-A1 3-ARYL-4-(2,6-DIMETHYLBENZYLIDENE)-ISOXAZOL-5(4H)-ONES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-29 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-20120065063-A1 3-Aryl-4-(2,6-dimethylbenzylidene)isoxazol-5(4H)-ones as Fungicides CYP4X1, CYP4Z1, HAAO CRBN 158/4885PDCD1 1209/4885CD274 1697/4885

“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.