SCHEMBL5454049

SCHEMBL5454049

CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3NCCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC42 P60953 1/20 0.52
GAA P10253 2/20 0.49
CASP6 P55212 1/20 0.49
PRMT5 O14744 2/20 0.47
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.44
CASP1 P29466 1/20 0.44
BRD3 Q15059 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DHODH Q02127 1/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 1/20 0.42
CYP2D6 P10635 2/20 0.41
SLC6A5 Q9Y345 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL5449897 0.97 CDC42 (0.53) CDC42GAACASP6PRMT5MAPT
SCHEMBL5456623 0.94 CDC42 (0.55) CDC42GAACASP6PRMT5MAPT
SCHEMBL5445912 0.88 CDC42 (0.52) CDC42GAACASP6PRMT5MAPT
SCHEMBL5455124 0.88 GAA (0.53) CDC42GAACASP6PRMT5MAPT
SCHEMBL5453990 0.88 GAA (0.55) CDC42GAACASP6PRMT5MAPT
SCHEMBL5445856 0.87 CDC42 (0.48) CDC42GAACASP6MAPTDHODH
SCHEMBL5468183 0.85 BRD3 (0.52) CDC42GAACASP6PRMT5MAPT
SCHEMBL5447195 0.85 MAPT (0.50) CDC42GAACASP6PRMT5MAPT
SCHEMBL5460537 0.84 CDC42 (0.49) CDC42GAACASP6MAPTNPSR1
SCHEMBL5456608 0.84 GAA (0.54) CDC42GAACASP6PRMT5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 CDC42 1241/4885GAA 1417/4885CASP6 3264/4885

“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.