SCHEMBL4408049

SCHEMBL4408049

CN(C)c1ccc(/N=N/c2ccc(NCCS(N)(=O)=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.55
CA9 Q16790 8/20 0.55
CA12 O43570 7/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 4/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
POLB P06746 2/20 0.55
CA1 P00915 4/20 0.48
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4408051 1.00 CA2 (0.55) CA2CA9CA12NPC1RAB9A
SCHEMBL4411222 0.87 NPC1 (0.49) CA2CA9CA12NPC1RAB9A
SCHEMBL4411219 0.87 NPC1 (0.49) CA2CA9CA12NPC1RAB9A
SCHEMBL4409635 0.82 MAPT (0.49) CA2CA9CA12NPC1RAB9A
SCHEMBL4409638 0.82 MAPT (0.49) CA2CA9CA12NPC1RAB9A
SCHEMBL22047509 0.77 MAPK1 (0.46) CA2CA9CA12NPC1RAB9A
SCHEMBL22047119 0.73 MAPK1 (0.42) CA2CA9CA12NPC1RAB9A
SCHEMBL42659 0.72 CA2 (1.00) CA2CA9CA12NPC1RAB9A
SCHEMBL42643 0.72 CA2 (1.00) CA2CA9CA12NPC1RAB9A
SCHEMBL4821832 0.71 RECQL (0.50) CA2CA9CA12RAB9ACA1

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-20090318563-A1 Nematicidal Compositions and Methods DIVERGENCE, INC. 2009-12-24 US disclosed
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 WO disclosed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 US disclosed
US-20040254150-A1 Nematicidal compositions and methods DIVERGENCE, INC. 2004-12-16 US disclosed
WO-2004103070-A2 NEMATICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2004-12-02 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 (3 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-20040254150-A1 Nematicidal compositions and methods NISCH, PNMT, ATL3 CA2 3445/4885CA9 3660/4885CA12 3633/4885
US-20050203067-A1 Pesticidal compositions and methods ACHE, DDT, PTMS CA2 701/4885CA9 1371/4885CA12 2113/4885
US-20090318563-A1 Nematicidal Compositions and Methods NISCH, PNMT, HNMT CA2 3350/4885CA9 3556/4885CA12 3398/4885

“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.