SCHEMBL5454093

SCHEMBL5454093

CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCC(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RB1 P06400 7/20 0.55
BRD3 Q15059 1/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.46
CASP1 P29466 1/20 0.46
NPC1 O15118 1/20 0.46
ALOX15 P16050 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP6 P55212 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL5451412 0.93 RB1 (0.56) RB1BRD3RAB9AMAPTGAA
SCHEMBL5451949 0.92 RB1 (0.56) RB1BRD3RAB9AMAPTGAA
SCHEMBL5456566 0.92 RB1 (0.56) RB1BRD3RAB9AMAPTGAA
SCHEMBL5461018 0.84 RB1 (0.49) RB1MAPTGAAHTTNPSR1
SCHEMBL5453990 0.82 GAA (0.55) BRD3RAB9AMAPTGAAHTT
SCHEMBL5468069 0.82 RB1 (0.55) RB1BRD3RAB9AMAPTGAA
SCHEMBL5468198 0.81 RB1 (0.53) RB1BRD3RAB9AMAPTGAA
SCHEMBL5459696 0.81 RB1 (0.60) RB1BRD3RAB9AMAPTGAA
SCHEMBL5456608 0.81 GAA (0.54) BRD3RAB9AMAPTGAAHTT
SCHEMBL5449796 0.81 BRD3 (0.54) BRD3RAB9AMAPTGAAHTT

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 RB1 1821/4885BRD3 529/4885RAB9A 2512/4885

“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.