SCHEMBL5458892

SCHEMBL5458892

O=C(NCCN1CCCC1)c1ccc2[nH]c3c(c2c1)CCCC3NCCc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.53
HTR3A P46098 2/20 0.53
PARP1 P09874 2/20 0.47
CDC42 P60953 1/20 0.45
BRD3 Q15059 7/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP9 P14780 1/20 0.44
CASP6 P55212 1/20 0.43
KMT2A Q03164 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
SCHEMBL5449841 0.93 CACNA1G (0.53) CACNA1GHTR3APARP1CDC42BRD3
SCHEMBL5448989 0.91 CACNA1G (0.48) CACNA1GHTR3APARP1CDC42GAA
SCHEMBL5454063 0.87 ALDH1A1 (0.47) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5456555 0.87 GAA (0.53) CACNA1GHTR3APARP1CDC42GAA
SCHEMBL5456602 0.85 BRD3 (0.45) PARP1CDC42BRD3GAACASP6
SCHEMBL5460464 0.84 BRD3 (0.44) PARP1CDC42BRD3GAACASP6
SCHEMBL5466557 0.84 HTR3A (0.51) CACNA1GHTR3APARP1CDC42GAA
SCHEMBL5456598 0.83 HTR3A (0.54) CACNA1GHTR3APARP1CDC42MMP9
SCHEMBL5458899 0.81 CACNA1G (0.52) CACNA1GHTR3APARP1ALDH1A1MAPT
SCHEMBL5454081 0.81 GAA (0.52) CACNA1GHTR3APARP1CDC42GAA

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 CACNA1G 4194/4885HTR3A 1237/4885PARP1 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.