SCHEMBL5456623

SCHEMBL5456623

CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3NCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC42 P60953 1/20 0.55
GAA P10253 2/20 0.52
CASP6 P55212 1/20 0.52
PRMT5 O14744 2/20 0.48
TP53 P04637 1/20 0.46
CASP1 P29466 1/20 0.46
MAPT P10636 4/20 0.45
BRD3 Q15059 3/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DHODH Q02127 1/20 0.44
CYP2D6 P10635 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT1 Q96EB6 2/20 0.42
RECQL P46063 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
KCNH2 Q12809 1/20 0.42
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
SCHEMBL5449897 0.95 CDC42 (0.53) CDC42GAACASP6PRMT5TP53
SCHEMBL5454049 0.94 CDC42 (0.52) CDC42GAACASP6PRMT5TP53
SCHEMBL5447195 0.91 MAPT (0.50) CDC42GAACASP6PRMT5TP53
SCHEMBL5468183 0.91 BRD3 (0.52) CDC42GAACASP6PRMT5TP53
SCHEMBL5445912 0.91 CDC42 (0.52) CDC42GAACASP6PRMT5TP53
SCHEMBL5445892 0.89 CDC42 (0.60) CDC42GAACASP6PRMT5MAPT
SCHEMBL5448964 0.87 CDC42 (0.56) CDC42GAACASP6PRMT5MAPT
SCHEMBL5453990 0.87 GAA (0.55) CDC42GAACASP6PRMT5TP53
SCHEMBL5454077 0.87 CDC42 (0.58) CDC42GAACASP6PRMT5MAPT
SCHEMBL5454096 0.86 CDC42 (0.50) CDC42GAACASP6TP53CASP1

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.