SCHEMBL20100824

SCHEMBL20100824

N#C/C(=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1)c1nccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 1.00
COMT P21964 6/20 0.63
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL20100837 0.88 FTO (0.78) FTOCOMTMAOAMAOBMEN1
SCHEMBL20100861 0.81 FTO (0.67) FTOCOMTMEN1ALDH1A1MAPT
SCHEMBL23255074 0.79 FTO (0.65) FTOCOMTALDH1A1
SCHEMBL20100862 0.78 COMT (1.00) FTOCOMTMAOAMAOBALDH1A1
SCHEMBL29493647 0.77 COMT (0.72) FTOCOMTMAOAMAOBMEN1
SCHEMBL28720714 0.77 COMT (1.00) FTOCOMTMEN1ALDH1A1MAPT
SCHEMBL20100828 0.77 COMT (0.72) FTOCOMTMAOAMAOBMEN1
SCHEMBL20100854 0.77 COMT (0.72) FTOCOMTMEN1ALDH1A1MAPT
SCHEMBL29493643 0.77 COMT (1.00) FTOCOMTMEN1ALDH1A1MAPT
SCHEMBL20100823 0.77 COMT (1.00) FTOCOMTMEN1ALDH1A1MAPT

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 FTO 2501/4885COMT 469/4885MAOA 1164/4885
US-20190183842-A1 Entacapone-related Compounds to Treat Macular Degeneration PDE6C, PDE6D, MC3R FTO 2501/4885COMT 469/4885MAOA 1164/4885
US-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885MAOA 162/4885
US-20210238127-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885MAOA 162/4885
US-20200148628-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885MAOA 162/4885
US-10988440-B2 FTO inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885MAOA 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.