SCHEMBL20100862

SCHEMBL20100862

N#C/C(C(=O)Nc1nccs1)=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
COMT P21964 6/20 1.00
FTO Q9C0B1 9/20 0.63
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL28715859 0.85 COMT (0.74) COMTFTO
SCHEMBL23255066 0.83 COMT (0.71) COMTFTOALDH1A1KMT2A
SCHEMBL20100863 0.82 COMT (0.70) COMTFTOALDH1A1KMT2A
SCHEMBL28719610 0.79 COMT (0.65) COMTFTOMAOAMAOBALDH1A1
SCHEMBL20100856 0.78 FTO (1.00) COMTFTOALDH1A1KMT2A
SCHEMBL20100824 0.78 FTO (1.00) COMTFTOMAOAMAOBALDH1A1
SCHEMBL31520154 0.77 FTO (0.70) COMTFTOALDH1A1KMT2A
SCHEMBL29493646 0.77 COMT (0.62) COMTFTO
SCHEMBL20100874 0.77 COMT (0.62) COMTFTO
SCHEMBL20100876 0.76 FTO (0.78) COMTFTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180118665-A1 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.