SCHEMBL3283786

SCHEMBL3283786

COC(=O)c1cc(C=C2C(=O)Nc3ccccc32)c2cccccc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
MDM2 Q00987 1/20 0.54
PLK4 O00444 2/20 0.53
PLK1 P53350 2/20 0.53
MAP3K7 O43318 1/20 0.53
TAB1 Q15750 1/20 0.53
FLT3 P36888 5/20 0.52
DHFR P00374 1/20 0.52
GSK3B P49841 1/20 0.51
CSNK1D P48730 3/20 0.50
CSNK1A1 P48729 2/20 0.50
CSNK1E P49674 2/20 0.50
PIM1 P11309 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GMNN O75496 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL3283782 1.00 NPC1 (0.56) NPC1MDM2PLK4PLK1MAP3K7
SCHEMBL3285325 0.89 FLT3 (0.68) NPC1MDM2FLT3
SCHEMBL3284152 0.89 FLT3 (0.68) NPC1MDM2FLT3
SCHEMBL3283170 0.78 FLT3 (0.76) NPC1MDM2PLK4PLK1MAP3K7
SCHEMBL3283166 0.78 FLT3 (0.76) NPC1MDM2PLK4PLK1MAP3K7
SCHEMBL3283165 0.78 FLT3 (0.76) NPC1MDM2PLK4PLK1MAP3K7
SCHEMBL14521057 0.76 PDPK1 (0.54) NPC1MDM2PLK4PLK1FLT3
SCHEMBL3282581 0.75 FLT3 (0.76) NPC1PLK4PLK1MAP3K7TAB1
SCHEMBL3282584 0.75 FLT3 (0.76) NPC1PLK4PLK1MAP3K7TAB1
SCHEMBL14521088 0.74 FLT3 (0.57) NPC1MDM2PLK4PLK1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714146-B2 Azulene-oxindole compounds as multiple-kinase inhibitors and useful as anticancer agents INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-05-11 US disclosed
US-7714146-B2 Azulene-oxindole compounds as multiple-kinase inhibitors and useful as anticancer agents INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-05-11 US disclosed
US-20080125590-A1 Azulene compounds INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-05-29 US disclosed
US-20080125590-A1 Azulene compounds INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-05-29 US disclosed
EP-1918277-A2 Azulene compounds Industrial Technology Research Institute (TW) 2008-05-07 EP disclosed
EP-1918277-A2 Azulene compounds Industrial Technology Research Institute (TW) 2008-05-07 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-20080125590-A1 Azulene compounds AZI2, PRMT5, BRCA1 NPC1 1869/4885MDM2 1321/4885PLK4 4237/4885

“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.