SCHEMBL9918751

SCHEMBL9918751

COC(=O)c1cc(C(N)=O)c([N+](=O)[O-])[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
XDH P47989 3/20 0.41
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 6/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36

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
SCHEMBL9918705 0.88 CYP1A2 (0.42) CYP1A2XDHKDM4EGAAGLA
SCHEMBL12684544 0.80 XDH (0.38) CYP1A2XDHKDM4EGAAGLA
SCHEMBL2059661 0.79 XDH (0.47) CYP1A2XDHKDM4EGAAGLA
SCHEMBL9918749 0.75 CYP1A2 (0.49) CYP1A2XDHKDM4EGAAGLA
SCHEMBL13694228 0.74 ALDH1A1 (0.42) CYP1A2XDHKDM4EKMT2AALDH1A1
SCHEMBL9918801 0.73 ALDH1A1 (0.40) GAAKMT2AALDH1A1LMNAPOLB
SCHEMBL3545739 0.71 MAPK14 (0.39) GAAKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL15679695 0.69 XDH (0.45) XDHKDM4EGAAGLAKMT2A
SCHEMBL11330293 0.68 VCAM1 (0.56) KDM4EGAAGLAALDH1A1LMNA
SCHEMBL8102402 0.67 KDM4E (0.50) CYP1A2XDHKDM4EGAAGLA

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
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CYP1A2 1299/4885XDH 1671/4885KDM4E 477/4885

“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.