SCHEMBL2554500

SCHEMBL2554500

COC(=O)c1cc(NC(C)=O)c([N+](=O)[O-])cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 5/20 0.54
LMNA P02545 4/20 0.54
POLB P06746 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GALR2 O43603 1/20 0.54
MITF O75030 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HPGD P15428 1/20 0.54
XBP1 P17861 1/20 0.54
CCR6 P51684 1/20 0.54
PDGFRB P09619 1/20 0.54
FGFR1 P11362 1/20 0.54
PDGFRA P16234 1/20 0.54
FLT1 P17948 1/20 0.54
FGFR3 P22607 1/20 0.54
KDR P35968 1/20 0.54
HTT P42858 2/20 0.51
RECQL P46063 1/20 0.49

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
SCHEMBL8767018 0.94 LMNA (0.58) KMT2AALDH1A1LMNAPOLBNPSR1
SCHEMBL8954112 0.90 SMN1; SMN2 (0.58) KMT2AALDH1A1LMNAPOLBNPSR1
SCHEMBL8435780 0.89 LMNA (0.54) KMT2AALDH1A1LMNAPOLBNPSR1
SCHEMBL12190640 0.85 PDGFRB (0.57) KMT2AALDH1A1LMNAPOLBPDGFRB
SCHEMBL12215941 0.84 LMNA (0.50) KMT2AALDH1A1LMNAPOLBNPSR1
SCHEMBL14903460 0.83 RECQL (0.57) KMT2AALDH1A1LMNAPOLBNPSR1
SCHEMBL1721029 0.83 PDGFRB (0.68) KMT2AALDH1A1LMNAPOLBNPSR1
SCHEMBL29725300 0.83 RECQL (0.57) KMT2AALDH1A1LMNAPOLBNPSR1
SCHEMBL2128713 0.83 SMN1; SMN2 (0.54) KMT2AALDH1A1LMNAPOLBNPSR1
SCHEMBL13088438 0.82 SMN1; SMN2 (0.64) KMT2AALDH1A1LMNAPOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555623-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2013-02-13 EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS KMT2A 3363/4885ALDH1A1 871/4885LMNA 3622/4885

“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.