SCHEMBL5454081

SCHEMBL5454081

Cc1ccc(CNC2CCCc3c2[nH]c2ccc(C(=O)NCCN4CCCC4)cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
CASP6 P55212 1/20 0.52
PARP1 P09874 3/20 0.50
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 1/20 0.49
CACNA1G O43497 2/20 0.47
PRMT5 O14744 1/20 0.47
TP53 P04637 1/20 0.46
CASP1 P29466 1/20 0.46
MAPT P10636 2/20 0.45
HTR3A P46098 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
CDC42 P60953 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
SCHEMBL5456555 0.93 GAA (0.53) GAACASP6PARP1NPSR1KMT2A
SCHEMBL5458899 0.92 CACNA1G (0.52) PARP1KMT2ACACNA1GTP53CASP1
SCHEMBL5449841 0.86 CACNA1G (0.53) GAAPARP1KMT2ACACNA1GMAPT
SCHEMBL5456598 0.84 HTR3A (0.54) PARP1KMT2ACACNA1GTP53CASP1
SCHEMBL5450266 0.82 PARP1 (0.56) PARP1KMT2ACACNA1GTP53CASP1
SCHEMBL5454753 0.82 PARP1 (0.56) PARP1KMT2ACACNA1GTP53CASP1
SCHEMBL5456569 0.81 GAA (0.49) GAACASP6PARP1NPSR1KMT2A
SCHEMBL5448989 0.81 CACNA1G (0.48) GAACASP6PARP1KMT2ACACNA1G
SCHEMBL5458892 0.81 CACNA1G (0.53) GAACASP6PARP1KMT2ACACNA1G
SCHEMBL5466557 0.80 HTR3A (0.51) GAACASP6PARP1KMT2ACACNA1G

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.