SCHEMBL20100833

SCHEMBL20100833

N#C/C(=C(/N)c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 5/20 0.56
FTO Q9C0B1 9/20 0.51
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
RECQL P46063 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL20100828 0.88 COMT (0.72) COMTFTOMAOAMAOBMEN1
SCHEMBL29493647 0.88 COMT (0.72) COMTFTOMAOAMAOBMEN1
SCHEMBL20100827 0.87 FTO (0.59) COMTFTOMAOAMAOBMEN1
SCHEMBL20100835 0.84 COMT (0.78) COMTFTOMAOAMAOBMEN1
SCHEMBL15294424 0.78 TTR (0.56) COMTFTOMAOAMAOBMEN1
SCHEMBL20100837 0.78 FTO (0.78) COMTFTOMAOAMAOBMEN1
SCHEMBL28715873 0.74 FTO (0.76) COMTFTOMEN1ALDH1A1MAPT
SCHEMBL29493650 0.74 FTO (0.76) COMTFTOMEN1ALDH1A1MAPT
SCHEMBL20100854 0.74 COMT (0.72) COMTFTOMEN1ALDH1A1MAPT
SCHEMBL20100853 0.74 FTO (0.76) COMTFTOMEN1ALDH1A1MAPT

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 8 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
EP-3303283-B1 FTO INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-04-21 EP 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 2501/4885MAOA 1164/4885
US-20190183842-A1 Entacapone-related Compounds to Treat Macular Degeneration PDE6C, PDE6D, MC3R COMT 469/4885FTO 2501/4885MAOA 1164/4885
US-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 COMT 9/4885FTO 1/4885MAOA 162/4885
US-20210238127-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 COMT 9/4885FTO 1/4885MAOA 162/4885
US-20200148628-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 COMT 9/4885FTO 1/4885MAOA 162/4885
US-10988440-B2 FTO inhibitors FTO, ALKBH3, ALKBH1 COMT 9/4885FTO 1/4885MAOA 162/4885

“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.