SCHEMBL864382

SCHEMBL864382

[CH2]Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.65
MEN1 O00255 6/20 0.65
KDM4E B2RXH2 5/20 0.65
USP2 O75604 4/20 0.65
MAPT P10636 3/20 0.65
HTT P42858 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
RXFP1 Q9HBX9 2/20 0.65
IDO1 P14902 1/20 0.65
HAT1 O14929 4/20 0.63
RBBP7 Q16576 4/20 0.63
RECQL P46063 3/20 0.63
ALDH1A1 P00352 3/20 0.63
CASP1 P29466 2/20 0.63
BRCA1 P38398 2/20 0.63
CASP7 P55210 2/20 0.63
HSD17B10 Q99714 2/20 0.63
TST Q16762 2/20 0.63
HPGD P15428 2/20 0.63
CYP1A2 P05177 2/20 0.63

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
SCHEMBL27872115 0.90 MEN1 (0.55) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL14502896 0.86 KMT2A (0.69) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL12959321 0.86 KMT2A (0.61) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL20906884 0.85 MEN1 (0.71) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL864130 0.84 KMT2A (0.63) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL11304043 0.84 MEN1 (0.73) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL864193 0.84 MEN1 (0.69) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL13966082 0.84 MEN1 (0.66) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL864557 0.83 MEN1 (0.68) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL14335565 0.83 MEN1 (0.68) KMT2AMEN1KDM4EUSP2MAPT

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 9 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 claimed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US claimed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 EP claimed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO claimed
WO-2013040412-A2 METHODS FOR INHIBITING BACTERIA GROWTH BIORELIX, INC. (US) 2013-03-21 WO disclosed
CN-102471283-A Flavin derivatives BIORELIX INC 2012-05-23 CN 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

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 KMT2A 3259/4885MEN1 4416/4885KDM4E 1942/4885

“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.