SCHEMBL20100893

SCHEMBL20100893

N#C/C(C(=O)N1CCC1)=C(/N)c1cc(O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 6/20 0.78
FTO Q9C0B1 9/20 0.72
TTR P02766 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 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
SCHEMBL20100883 0.97 FTO (0.78) COMTFTOTTRKDM4EMEN1
SCHEMBL28715850 0.97 FTO (0.78) COMTFTOTTRKDM4EMEN1
SCHEMBL20100880 0.87 COMT (1.00) COMTFTOTTR
SCHEMBL20100869 0.84 FTO (1.00) COMTFTOTTR
SCHEMBL28717335 0.84 FTO (1.00) COMTFTOTTR
SCHEMBL29493670 0.84 FTO (1.00) COMTFTOTTR
SCHEMBL29493687 0.84 FTO (1.00) COMTFTOTTR
SCHEMBL20100892 0.81 COMT (0.52) COMTFTOMEN1ALDH1A1LMNA
SCHEMBL23255166 0.79 FTO (0.53) COMTFTOKDM4EMEN1ALDH1A1
SCHEMBL20100888 0.76 FTO (0.68) COMTFTOTTRKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922316-B FTO inhibitors 北京生命科学研究所 2022-04-08 CN 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 (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 1/4885TTR 1699/4885

“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.