SCHEMBL5456586

SCHEMBL5456586

O=C(NCc1cccnc1)c1ccc2[nH]c3c(c2c1)CCCC3NCCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 7/20 0.45
PRMT5 O14744 1/20 0.44
HTT P42858 1/20 0.44
NAMPT P43490 2/20 0.44
PARP1 P09874 1/20 0.44
CDC42 P60953 1/20 0.43
GAA P10253 1/20 0.43
CASP6 P55212 1/20 0.43
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
PDE4B Q07343 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
SCHEMBL5454096 0.94 CDC42 (0.50) NAMPTPARP1CDC42GAACASP6
SCHEMBL5460464 0.93 BRD3 (0.44) BRD3NAMPTPARP1CDC42GAA
SCHEMBL14361241 0.93 BRD3 (0.47) BRD3PRMT5HTTNAMPTPARP1
SCHEMBL5459002 0.92 DHODH (0.47) HTTNAMPTPARP1CDC42GAA
SCHEMBL5461879 0.92 GAA (0.51) PRMT5HTTPARP1CDC42GAA
SCHEMBL5463485 0.89 CDC42 (0.44) BRD3PRMT5NAMPTPARP1CDC42
SCHEMBL5460537 0.89 CDC42 (0.49) NAMPTPARP1CDC42GAACASP6
SCHEMBL5492905 0.89 SMN1; SMN2 (0.48) PARP1CDC42GAACASP6CDK1
SCHEMBL5445856 0.88 CDC42 (0.48) PARP1CDC42GAACASP6CDK1
SCHEMBL5461870 0.88 ROCK2 (0.47) BRD3NAMPTPARP1CDK1CDK2

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 BRD3 529/4885PRMT5 1060/4885HTT 3020/4885

“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.