SCHEMBL5456598

SCHEMBL5456598

O=C(NCCN1CCCC1)c1ccc2[nH]c3c(c2c1)CCCC3NCc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.54
CACNA1G O43497 3/20 0.50
PARP1 P09874 6/20 0.49
CDC42 P60953 1/20 0.47
MMP9 P14780 1/20 0.47
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43
CASP1 P29466 1/20 0.43
PLD2 O14939 1/20 0.43
PLD1 Q13393 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
SCHEMBL5456721 0.87 BRD3 (0.48) CDC42TP53CASP1
SCHEMBL5449841 0.87 CACNA1G (0.53) HTR3ACACNA1GPARP1CDC42MMP9
SCHEMBL5456584 0.86 ALDH1A1 (0.53) KMT2A
SCHEMBL5466557 0.85 HTR3A (0.51) HTR3ACACNA1GPARP1CDC42KMT2A
SCHEMBL5454081 0.84 GAA (0.52) HTR3ACACNA1GPARP1CDC42KMT2A
SCHEMBL5458899 0.84 CACNA1G (0.52) HTR3ACACNA1GPARP1KMT2ATP53
SCHEMBL5448970 0.83 NAMPT (0.47) CDC42
SCHEMBL5458892 0.83 CACNA1G (0.53) HTR3ACACNA1GPARP1CDC42MMP9
SCHEMBL5445777 0.82 ROCK2 (0.43) PARP1CDC42KMT2A
SCHEMBL5450266 0.81 PARP1 (0.56) HTR3ACACNA1GPARP1MMP9KMT2A

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 HTR3A 1237/4885CACNA1G 4194/4885PARP1 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.