SCHEMBL6747491

SCHEMBL6747491

O=C1CCc2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.45
PNMT P11086 2/20 0.44
ADRA2A P08913 1/20 0.44
TDP2 O95551 1/20 0.42
LMNA P02545 2/20 0.41
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
RAB9A P51151 1/20 0.41
TLR9 Q9NR96 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.40
TYMS P04818 1/20 0.39
CA9 Q16790 3/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 1/20 0.39
TSHR P16473 2/20 0.38

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
SCHEMBL5388614 0.87 ALDH1A1 (0.45) MEN1MAPTKMT2AALDH1A1PNMT
SCHEMBL983449 0.85 MEN1 (0.51) MEN1MAPTKMT2AALDH1A1PNMT
SCHEMBL14053324 0.82 MEN1 (0.49) MEN1MAPTKMT2AALDH1A1PNMT
SCHEMBL1633977 0.76 ADRA2A (0.46) MEN1MAPTKMT2AALDH1A1PNMT
SCHEMBL29525659 0.76 ADRA2A (0.46) MEN1MAPTKMT2AALDH1A1PNMT
SCHEMBL13279705 0.75 TDP2 (0.46) MEN1MAPTKMT2AALDH1A1PNMT
SCHEMBL9483063 0.74 PNMT (0.65) MEN1MAPTKMT2AALDH1A1PNMT
SCHEMBL30709850 0.74 PNMT (0.65) MEN1MAPTKMT2AALDH1A1PNMT
SCHEMBL8698600 0.73 CLK1 (0.44) MEN1MAPTKMT2AALDH1A1PNMT
SCHEMBL4228822 0.73 MEN1 (0.50) MEN1MAPTKMT2AALDH1A1ADRA2A

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
US-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor ELI LILLY AND COMPANY 2004-03-18 US claimed
EP-2702043-A1 INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE Exelixis, Inc. (US) 2014-03-05 EP disclosed
CN-101535276-B 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors CEPHALON INC 2013-08-28 CN disclosed
WO-2012149528-A1 INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE EXELIXIS, INC. (US) 2012-11-01 WO disclosed
CN-101535276-A 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors CEPHALON INC (US) 2009-09-16 CN 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-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor NOTUM, FAR1, CYP51A1 MEN1 3183/4885MAPT 4852/4885KMT2A 3191/4885

“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.