SCHEMBL40478

SCHEMBL40478

CC(C)(C)c1ccc(C2=NOC(=O)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.62
KIF11 P52732 3/20 0.40
PRKDC P78527 1/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
HTR1D P28221 1/20 0.37
ADRA1A P35348 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MIF P14174 1/20 0.36
RARB P10826 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IKBKB O14920 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
TNKS O95271 1/20 0.34

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
SCHEMBL22925624 0.83 NOTUM (0.62) NOTUMKIF11NISCHTNKSTNKS2
SCHEMBL452337 0.77 NOTUM (0.68) NOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL789358 0.77 NOTUM (0.68) NOTUMMIF
SCHEMBL9782150 0.77 NOTUM (1.00) NOTUMRAB9ANPC1KDM4ELMNA
SCHEMBL20370831 0.76 NOTUM (0.67) NOTUMKIF11RAB9ANPC1NISCH
SCHEMBL181974 0.76 NOTUM (0.67) NOTUMRAB9ANPC1KDM4ELMNA
SCHEMBL31178428 0.74 NOTUM (0.65) NOTUMLMNATP53
SCHEMBL11023401 0.72 NOTUM (0.62) NOTUMRAB9ANPC1KDM4ETP53
SCHEMBL11717156 0.68 NOTUM (0.56) NOTUMTP53
SCHEMBL2224968 0.67 NOTUM (0.50) NOTUMRARB

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-20120100989-A1 3-Aryl-4-(2-thienylmethylene)isoxazol-5(4H)-ones as Fungicides BAYER CROPSCIENCE AG (DE) 2012-04-26 US disclosed
WO-2011161035-A1 3-ARYL-4-(2-THIENYLMETHYLENE)-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-20120100989-A1 3-Aryl-4-(2-thienylmethylene)isoxazol-5(4H)-ones as Fungicides CYP4X1, CYP4Z1, TH NOTUM 1620/4885KIF11 3421/4885PRKDC 837/4885

“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.