SCHEMBL20100831

SCHEMBL20100831

N#C/C(=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 6/20 0.62
COMT P21964 4/20 0.62
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
RECQL P46063 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GMNN O75496 1/20 0.53
LMNA P02545 1/20 0.53
TTR P02766 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL20100854 0.84 COMT (0.72) FTOCOMTMEN1ALDH1A1MAPT
SCHEMBL20100825 0.81 FTO (0.61) FTOCOMTMEN1ALDH1A1MAPT
SCHEMBL29493647 0.79 COMT (0.72) FTOCOMTMEN1ALDH1A1MAPT
SCHEMBL20100828 0.79 COMT (0.72) FTOCOMTMEN1ALDH1A1MAPT
SCHEMBL31520154 0.78 FTO (0.70) FTOCOMTMEN1ALDH1A1MAPT
SCHEMBL21933010 0.78 COMT (0.74) FTOCOMTTTR
SCHEMBL21933009 0.78 COMT (0.74) FTOCOMTTTR
SCHEMBL28720714 0.77 COMT (1.00) FTOCOMTMEN1ALDH1A1MAPT
SCHEMBL20100824 0.77 FTO (1.00) FTOCOMTMEN1ALDH1A1MAPT
SCHEMBL29493643 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 2 patents. 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
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 FTO 1/4885COMT 9/4885MEN1 3683/4885

“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.