SCHEMBL20100854

SCHEMBL20100854

N#C/C(=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 5/20 0.72
FTO Q9C0B1 8/20 0.63
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 2/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
TTR P02766 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL20100827 0.88 FTO (0.59) COMTFTOKDM4EALDH1A1MAPT
SCHEMBL29493647 0.86 COMT (0.72) COMTFTOKDM4EALDH1A1MAPT
SCHEMBL20100828 0.86 COMT (0.72) COMTFTOKDM4EALDH1A1MAPT
SCHEMBL20100832 0.86 FTO (0.75) COMTFTOKDM4EALDH1A1MAPT
SCHEMBL20100831 0.84 FTO (0.62) COMTFTOKDM4EALDH1A1MAPT
SCHEMBL28720714 0.84 COMT (1.00) COMTFTOALDH1A1MAPTKMT2A
SCHEMBL20100823 0.84 COMT (1.00) COMTFTOALDH1A1MAPTKMT2A
SCHEMBL29493643 0.84 COMT (1.00) COMTFTOALDH1A1MAPTKMT2A
SCHEMBL20100858 0.81 FTO (0.62) COMTFTOKDM4EALDH1A1MAPT
SCHEMBL21933009 0.81 COMT (0.74) COMTFTOTTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238127-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-08-05 US disclosed
US-10988440-B2 FTO inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-04-27 US disclosed
US-10980766-B2 Entacapone-related compounds to treat macular degeneration NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-04-20 US disclosed
US-20200148628-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-05-14 US disclosed
US-20190183842-A1 Entacapone-related Compounds to Treat Macular Degeneration NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-06-20 US disclosed
US-20180118665-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-05-03 US disclosed
US-20180118665-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-05-03 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 (6 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-10980766-B2 Entacapone-related compounds to treat macular degeneration PDE6C, PDE6D, MC3R COMT 469/4885FTO 2501/4885KDM4E 3671/4885
US-20190183842-A1 Entacapone-related Compounds to Treat Macular Degeneration PDE6C, PDE6D, MC3R COMT 469/4885FTO 2501/4885KDM4E 3671/4885
US-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 COMT 9/4885FTO 1/4885KDM4E 26/4885
US-20210238127-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 COMT 9/4885FTO 1/4885KDM4E 26/4885
US-20200148628-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 COMT 9/4885FTO 1/4885KDM4E 26/4885
US-10988440-B2 FTO inhibitors FTO, ALKBH3, ALKBH1 COMT 9/4885FTO 1/4885KDM4E 26/4885

“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.