SCHEMBL5456919

SCHEMBL5456919

CN(C)CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.52
RB1 P06400 7/20 0.52
TP53 P04637 1/20 0.48
CASP1 P29466 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.45
BRD3 Q15059 1/20 0.45
CASP6 P55212 1/20 0.45
PRMT5 O14744 1/20 0.44
TLR9 Q9NR96 2/20 0.43
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
RAB9A P51151 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5468198 0.88 RB1 (0.53) RB1TP53CASP1KDM4EALDH1A1
SCHEMBL5451949 0.88 RB1 (0.56) RB1TP53CASP1KDM4EMAPT
SCHEMBL5456566 0.88 RB1 (0.56) RB1TP53CASP1KDM4EMAPT
SCHEMBL5451412 0.87 RB1 (0.56) RB1TP53CASP1KDM4EMAPT
SCHEMBL5449883 0.85 RB1 (0.61) RB1TP53CASP1MAPTGAA
SCHEMBL5454061 0.85 RB1 (0.53) RB1TP53CASP1KDM4EALDH1A1
SCHEMBL5468069 0.85 RB1 (0.55) RB1TP53CASP1KDM4EALDH1A1
SCHEMBL5454753 0.85 PARP1 (0.56) PARP1RB1TP53CASP1MAPT
SCHEMBL5456686 0.85 RB1 (0.56) RB1TP53CASP1KDM4EALDH1A1
SCHEMBL5450266 0.85 PARP1 (0.56) PARP1RB1TP53CASP1MAPT

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 PARP1 709/4885RB1 1821/4885TP53 1204/4885

“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.