SCHEMBL864883

SCHEMBL864883

CN(C)c1ccc2nc3c(=O)[nH]c(=O)nc-3n(CCCCCCC(=O)O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
USP2 O75604 4/20 0.59
RXFP1 Q9HBX9 2/20 0.59
ALPL P05186 1/20 0.59
POLB P06746 1/20 0.59
ALPI P09923 1/20 0.59
ALPG P10696 1/20 0.59
AGTR1 P30556 1/20 0.59
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
IDO1 P14902 1/20 0.48
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
HAT1 O14929 4/20 0.41
RBBP7 Q16576 4/20 0.41
RECQL P46063 3/20 0.41
CASP1 P29466 2/20 0.41

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
SCHEMBL10250133 0.92 MEN1 (0.59) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL863927 0.89 MEN1 (0.51) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL13496383 0.88 MEN1 (0.61) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL864824 0.85 MEN1 (0.55) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL864436 0.85 MEN1 (0.55) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL864562 0.85 MEN1 (0.55) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL865105 0.85 MEN1 (0.67) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL863811 0.85 MEN1 (0.67) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL864775 0.84 MEN1 (0.56) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL864092 0.83 GSR (0.48) MEN1KMT2AUSP2RXFP1POLB

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 8 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
CN-102176825-A Flavin derivatives BIORELIX PHARMACEUTICALS INC 2011-09-07 CN 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.