SCHEMBL5454077

SCHEMBL5454077

NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3NCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC42 P60953 1/20 0.58
GAA P10253 1/20 0.53
CASP6 P55212 1/20 0.53
MAPKAPK2 P49137 1/20 0.52
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PRMT5 O14744 2/20 0.47
CYP2D6 P10635 1/20 0.46
HTR1B P28222 3/20 0.46
BRD3 Q15059 4/20 0.45
DHODH Q02127 1/20 0.44
SIRT1 Q96EB6 4/20 0.43
SIRT2 Q8IXJ6 3/20 0.43
HTR1A P08908 2/20 0.43
HTR1D P28221 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
RECQL P46063 1/20 0.43
DRD2 P14416 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
SCHEMBL5445892 0.92 CDC42 (0.60) CDC42GAACASP6MAPTALOX15
SCHEMBL5448964 0.89 CDC42 (0.56) CDC42GAACASP6MAPKAPK2MAPT
SCHEMBL31497389 0.88 SIRT1 (0.53) CDC42GAACASP6MAPKAPK2MAPT
SCHEMBL5456623 0.87 CDC42 (0.55) CDC42GAACASP6MAPTALOX15
SCHEMBL14361488 0.85 CDC42 (0.61) CDC42GAACASP6MAPTALOX15
SCHEMBL4196072 0.83 CYP2D6 (0.67) CDC42GAACASP6MAPTALOX15
SCHEMBL5449921 0.83 CDC42 (0.80) CDC42GAACASP6MAPTALOX15
SCHEMBL4187019 0.83 GAA (0.72) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL5447038 0.83 BRD3 (0.63) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL5454096 0.82 CDC42 (0.50) CDC42GAACASP6MAPK1SMN1; SMN2

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 CDC42 1241/4885GAA 1417/4885CASP6 3264/4885

“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.