SCHEMBL5459636

SCHEMBL5459636

Cc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)c1cccc(I)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
CASP6 P55212 1/20 0.55
SIRT1 Q96EB6 3/20 0.53
CDKN1A P38936 1/20 0.53
BRD3 Q15059 7/20 0.53
RECQL P46063 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
DHODH Q02127 1/20 0.51
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
PRMT5 O14744 2/20 0.49
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
CDC42 P60953 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
SCHEMBL4021476 0.89 SIRT1 (0.61) GAACASP6SIRT1CDKN1ABRD3
SCHEMBL5456562 0.88 GAA (0.55) GAACASP6SIRT1CDKN1ABRD3
SCHEMBL5450144 0.88 BRD3 (0.63) GAACASP6SIRT1CDKN1ABRD3
SCHEMBL5463501 0.86 GAA (0.52) GAACASP6SIRT1CDKN1ABRD3
SCHEMBL5446302 0.86 BRD3 (0.52) GAACASP6SIRT1CDKN1ABRD3
SCHEMBL4021248 0.84 CYP2D6 (0.56) GAACASP6SIRT1CDKN1ABRD3
SCHEMBL5453933 0.83 GAA (0.56) GAACASP6SIRT1CDKN1ABRD3
SCHEMBL5459706 0.83 BRD3 (0.59) GAACASP6SIRT1CDKN1ABRD3
SCHEMBL5454074 0.83 BRD3 (0.67) GAACASP6SIRT1CDKN1ABRD3
SCHEMBL5445807 0.81 GAA (0.61) GAACASP6SIRT1CDKN1ABRD3

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.