SCHEMBL866366

SCHEMBL866366

CCOP(=O)(CCNC(=O)Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
USP2 O75604 4/20 0.54
HTT P42858 4/20 0.54
MAPT P10636 4/20 0.54
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
RXFP1 Q9HBX9 2/20 0.54
IDO1 P14902 1/20 0.54
ESR1 P03372 1/20 0.51
NR3C1 P04150 1/20 0.51
ADRB2 P07550 1/20 0.51
HTR2C P28335 1/20 0.51
ADRA1A P35348 1/20 0.51
PTGS2 P35354 1/20 0.51
TST Q16762 2/20 0.49
HSPD1 P10809 1/20 0.49
HSPE1 P61604 1/20 0.49
HAT1 O14929 4/20 0.48
RBBP7 Q16576 4/20 0.48

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
SCHEMBL863923 0.95 MEN1 (0.52) MEN1KMT2AUSP2HTTMAPT
SCHEMBL864796 0.88 MEN1 (0.56) MEN1KMT2AUSP2HTTMAPT
SCHEMBL864550 0.88 MEN1 (0.53) MEN1KMT2AUSP2HTTMAPT
SCHEMBL864551 0.87 MEN1 (0.52) MEN1KMT2AUSP2HTTMAPT
SCHEMBL864983 0.86 MEN1 (0.59) MEN1KMT2AUSP2HTTMAPT
SCHEMBL864585 0.84 MEN1 (0.54) MEN1KMT2AUSP2HTTMAPT
SCHEMBL27820030 0.83 MEN1 (0.59) MEN1KMT2AUSP2HTTMAPT
SCHEMBL13496271 0.82 MEN1 (0.49) MEN1KMT2AUSP2HTTMAPT
SCHEMBL863857 0.82 MEN1 (0.58) MEN1KMT2AUSP2HTTMAPT
SCHEMBL863924 0.81 ESR1 (0.49) MEN1KMT2AUSP2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 4416/4885KMT2A 3259/4885USP2 3808/4885

“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.