SCHEMBL864092

SCHEMBL864092

O=C(O)CCCCCCn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 3/20 0.48
FABP4 P15090 2/20 0.46
FABP5 Q01469 2/20 0.46
KDM4E B2RXH2 5/20 0.46
HTT P42858 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
IDO1 P14902 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
TBXAS1 P24557 2/20 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
SCHEMBL10250559 0.90 GSR (0.47) GSRKDM4EHTTKMT2AMEN1
SCHEMBL863686 0.86 MEN1 (0.51) KDM4EHTTKMT2AMEN1MAPT
SCHEMBL863927 0.86 MEN1 (0.51) GSRKDM4EHTTKMT2AMEN1
SCHEMBL28727266 0.85 TLR8 (0.54) GSRKDM4EHTTMAPTTDP1
SCHEMBL863811 0.83 MEN1 (0.67) KDM4EHTTKMT2AMEN1MAPT
SCHEMBL865105 0.83 MEN1 (0.67) KDM4EHTTKMT2AMEN1MAPT
SCHEMBL864883 0.83 MEN1 (0.59) KDM4EHTTKMT2AMEN1MAPT
SCHEMBL12287205 0.83 GSR (0.51) GSRKDM4EHTTKMT2AMEN1
SCHEMBL9635970 0.82 HTT (0.54) GSRKDM4EHTTKMT2AMEN1
SCHEMBL866428 0.82 MEN1 (0.52) GSRFABP4FABP5KDM4EHTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013040412-A2 METHODS FOR INHIBITING BACTERIA GROWTH BIORELIX, INC. (US) 2013-03-21 WO disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 EP disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO 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-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS GSR 587/4885FABP4 494/4885FABP5 67/4885

“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.