SCHEMBL5456596

SCHEMBL5456596

Cc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)c1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 7/20 0.59
GAA P10253 1/20 0.56
CASP6 P55212 1/20 0.56
SIRT1 Q96EB6 3/20 0.54
DHODH Q02127 1/20 0.54
RECQL P46063 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PRMT5 O14744 2/20 0.50
CDKN1A P38936 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
CDC42 P60953 1/20 0.45
CYP2D6 P10635 1/20 0.44

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
SCHEMBL5456722 0.88 GAA (0.59) BRD3GAACASP6SIRT1DHODH
SCHEMBL4026687 0.88 DHODH (0.69) BRD3SIRT1DHODHSIRT2MAPT
SCHEMBL4021884 0.88 DHODH (0.69) BRD3SIRT1DHODHSIRT2MAPT
SCHEMBL5453933 0.88 GAA (0.56) BRD3GAACASP6SIRT1DHODH
SCHEMBL4024942 0.88 CYP2D6 (0.60) BRD3SIRT1DHODHMAPTALOX15
SCHEMBL4022091 0.88 DHODH (0.69) BRD3SIRT1DHODHSIRT2MAPT
SCHEMBL5451423 0.87 BRD3 (0.53) BRD3GAACASP6SIRT1DHODH
SCHEMBL5445807 0.86 GAA (0.61) BRD3GAACASP6SIRT1DHODH
SCHEMBL5438530 0.86 GAA (0.54) BRD3GAACASP6SIRT1DHODH
SCHEMBL4021476 0.85 SIRT1 (0.61) BRD3GAACASP6SIRT1DHODH

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.