SCHEMBL5448989

SCHEMBL5448989

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.48
PARP1 P09874 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR3A P46098 2/20 0.46
CDC42 P60953 1/20 0.45
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DHODH Q02127 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
CASP6 P55212 1/20 0.43
KMT2A Q03164 1/20 0.42
MCHR1 Q99705 1/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 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
SCHEMBL5458892 0.91 CACNA1G (0.53) CACNA1GPARP1MAPTHTR3ACDC42
SCHEMBL5466668 0.87 MAPT (0.46) CACNA1GMAPTMAPK1ALOX15SMN1; SMN2
SCHEMBL5466557 0.87 HTR3A (0.51) CACNA1GPARP1MAPTMAPK1ALOX15
SCHEMBL5456555 0.87 GAA (0.53) CACNA1GPARP1MAPTHTR3ACDC42
SCHEMBL5458899 0.86 CACNA1G (0.52) CACNA1GPARP1MAPTMAPK1ALOX15
SCHEMBL5492905 0.84 SMN1; SMN2 (0.48) PARP1MAPTMAPK1ALOX15SMN1; SMN2
SCHEMBL5449841 0.84 CACNA1G (0.53) CACNA1GPARP1MAPTHTR3ACDC42
SCHEMBL5454081 0.81 GAA (0.52) CACNA1GPARP1MAPTHTR3ACDC42
SCHEMBL5456598 0.80 HTR3A (0.54) CACNA1GPARP1HTR3ACDC42KMT2A
SCHEMBL5454753 0.80 PARP1 (0.56) CACNA1GPARP1MAPTHTR3AKMT2A

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 4194/4885PARP1 709/4885MAPT 3817/4885

“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.