SCHEMBL5456722

SCHEMBL5456722

Cc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)c1ccccc1Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
CASP6 P55212 1/20 0.59
SIRT1 Q96EB6 3/20 0.54
DHODH Q02127 1/20 0.54
RECQL P46063 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
BRD3 Q15059 5/20 0.53
MAPT P10636 2/20 0.51
ALOX15 P16050 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
PRMT5 O14744 2/20 0.50
CYP2D6 P10635 2/20 0.49
KCNH2 Q12809 1/20 0.48
CDKN1A P38936 1/20 0.47
CDC42 P60953 1/20 0.47
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 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
SCHEMBL5456596 0.88 BRD3 (0.59) GAACASP6SIRT1DHODHRECQL
SCHEMBL5453933 0.88 GAA (0.56) GAACASP6SIRT1DHODHRECQL
SCHEMBL5445807 0.86 GAA (0.61) GAACASP6SIRT1DHODHRECQL
SCHEMBL5438530 0.86 GAA (0.54) GAACASP6SIRT1DHODHRECQL
SCHEMBL4021476 0.85 SIRT1 (0.61) GAACASP6SIRT1DHODHRECQL
SCHEMBL5451423 0.85 BRD3 (0.53) GAACASP6SIRT1DHODHRECQL
SCHEMBL21114855 0.85 CYP2D6 (0.61) GAACASP6SIRT1DHODHRECQL
SCHEMBL4022197 0.85 CYP2D6 (0.61) GAACASP6SIRT1DHODHRECQL
SCHEMBL29905613 0.85 CYP2D6 (0.61) GAACASP6SIRT1DHODHRECQL
SCHEMBL5456562 0.83 GAA (0.55) GAACASP6SIRT1DHODHRECQL

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 GAA 1417/4885CASP6 3264/4885SIRT1 4589/4885

“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.