SCHEMBL865054

SCHEMBL865054

COC(=O)CCCOCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
USP2 O75604 4/20 0.68
KDM4E B2RXH2 4/20 0.68
MAPT P10636 4/20 0.68
HTT P42858 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
RXFP1 Q9HBX9 2/20 0.68
IDO1 P14902 1/20 0.68
HAT1 O14929 4/20 0.51
RBBP7 Q16576 4/20 0.51
RECQL P46063 3/20 0.51
CASP1 P29466 2/20 0.51
BRCA1 P38398 2/20 0.51
CASP7 P55210 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TST Q16762 2/20 0.51
CYP3A4 P08684 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51

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
SCHEMBL864199 0.91 MEN1 (0.66) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL864786 0.90 MEN1 (0.71) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL864499 0.89 MEN1 (0.66) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL865602 0.86 MEN1 (0.63) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL14335564 0.85 MEN1 (0.74) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL29959870 0.83 MEN1 (0.71) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL16476451 0.83 MEN1 (0.71) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL14335748 0.82 MEN1 (0.77) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL29959592 0.82 MEN1 (0.77) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL15705631 0.82 MEN1 (0.70) MEN1KMT2AUSP2KDM4EMAPT

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 5 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
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.