SCHEMBL5456630

SCHEMBL5456630

COc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(C)cc32)cc1F

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 7/20 0.54
GAA P10253 2/20 0.52
CASP6 P55212 1/20 0.52
SIRT1 Q96EB6 4/20 0.50
RECQL P46063 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
PRMT5 O14744 2/20 0.49
MAPT P10636 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DHODH Q02127 1/20 0.46
CDKN1A P38936 1/20 0.44
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL5459706 0.90 BRD3 (0.59) BRD3GAACASP6SIRT1RECQL
SCHEMBL5454761 0.89 MAPT (0.52) BRD3GAACASP6SIRT1RECQL
SCHEMBL5454074 0.86 BRD3 (0.67) BRD3GAACASP6SIRT1RECQL
SCHEMBL5450144 0.83 BRD3 (0.63) BRD3GAACASP6SIRT1RECQL
SCHEMBL4021476 0.81 SIRT1 (0.61) BRD3GAACASP6SIRT1RECQL
SCHEMBL5460625 0.81 SIRT1 (0.53) BRD3GAACASP6SIRT1RECQL
SCHEMBL5445807 0.80 GAA (0.61) BRD3GAACASP6SIRT1RECQL
SCHEMBL5456596 0.80 BRD3 (0.59) BRD3GAACASP6SIRT1RECQL
SCHEMBL5459636 0.79 GAA (0.55) BRD3GAACASP6SIRT1RECQL
SCHEMBL5452182 0.79 GAA (0.55) BRD3GAACASP6SIRT1RECQL

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 529/4885GAA 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.