SCHEMBL4091080

SCHEMBL4091080

COC(=O)c1cc(C=CN(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.41
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
PTGS2 P35354 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
ERN1 O75460 1/20 0.38
STAT3 P40763 1/20 0.38
LMNA P02545 1/20 0.37
VCAM1 P19320 1/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
PRKDC P78527 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL4091076 1.00 SIRT6 (0.41) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL19475625 0.87 PDGFRB (0.41) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL15687421 0.87 PDGFRB (0.41) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL30083324 0.86 ALDH1A1 (0.46) TDP1MAPTALDH1A1STAT3LMNA
SCHEMBL396046 0.86 ALDH1A1 (0.46) TDP1MAPTALDH1A1STAT3LMNA
SCHEMBL21681922 0.86 MAPT (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL396045 0.86 ALDH1A1 (0.46) TDP1MAPTALDH1A1STAT3LMNA
SCHEMBL12869675 0.86 MAPT (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL16840175 0.85 STAT3 (0.40) PTGS2TDP1MAPTALDH1A1STAT3
SCHEMBL1465976 0.85 PTGS2 (0.42) PTGS2MAPTALDH1A1STAT3LMNA

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
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US 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 (2 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-20090214529-A9 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C SIRT6 2197/4885PDGFRB 4019/4885FGFR1 1920/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C SIRT6 2197/4885PDGFRB 4019/4885FGFR1 1920/4885

“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.