SCHEMBL5459638

SCHEMBL5459638

CC(=O)NCCNC1CCCc2c1[nH]c1ccc(C(=O)NCc3cccnc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
CASP6 P55212 1/20 0.47
PARP1 P09874 1/20 0.46
CDC42 P60953 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.45
BRD3 Q15059 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
TSHR P16473 4/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NAMPT P43490 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
SCHEMBL5460486 0.90 TRPV1 (0.48) GAACASP6PARP1CDC42ALDH1A1
SCHEMBL5454096 0.89 CDC42 (0.50) GAACASP6PARP1CDC42ALDH1A1
SCHEMBL5466544 0.89 TRPV1 (0.49) GAACASP6PARP1CDC42ALDH1A1
SCHEMBL5448977 0.88 CDC42 (0.48) GAAPARP1CDC42ALDH1A1L3MBTL1
SCHEMBL5461879 0.88 GAA (0.51) GAACASP6PARP1CDC42ALDH1A1
SCHEMBL5460537 0.88 CDC42 (0.49) GAACASP6PARP1CDC42ALDH1A1
SCHEMBL5445856 0.87 CDC42 (0.48) GAACASP6PARP1CDC42CDK1
SCHEMBL5456569 0.87 GAA (0.49) GAACASP6PARP1ALDH1A1HTT
SCHEMBL5459002 0.87 DHODH (0.47) GAACASP6PARP1CDC42HTT
SCHEMBL5456586 0.87 BRD3 (0.45) GAACASP6PARP1CDC42HTT

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 GAA 1417/4885CASP6 3264/4885PARP1 709/4885

“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.