SCHEMBL20100877

SCHEMBL20100877

CCNC(=O)/C(C#N)=C(\O)c1cc(OC)c(OC)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 6/20 0.53
COMT P21964 4/20 0.46
TPMT P51580 1/20 0.43
EGFR P00533 1/20 0.40
ABCB1 P08183 2/20 0.40
ABCC1 P33527 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.39
MAPK10 P53779 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL21998847 0.92 FTO (0.44) FTOCOMTTPMTEGFRABCB1
SCHEMBL20100887 0.88 FTO (0.52) FTOCOMTTPMTEGFRABCB1
SCHEMBL20100886 0.88 FTO (0.69) FTOCOMTTPMTEGFRABCB1
SCHEMBL20100890 0.87 TDP1 (0.45) FTOCOMTTPMTEGFRABCB1
SCHEMBL20100878 0.83 ALDH1A1 (0.48) FTOCOMTTPMTABCB1ABCC1
SCHEMBL8471655 0.83 TPMT (0.47) FTOCOMTTPMTABCB1ABCC1
SCHEMBL4608763 0.83 FTO (0.68) FTOCOMTTPMTABCB1ABCC1
SCHEMBL4608767 0.83 FTO (0.68) FTOCOMTTPMTABCB1ABCC1
SCHEMBL4609816 0.83 FTO (0.68) FTOCOMTTPMTABCB1ABCC1
SCHEMBL20100872 0.82 FTO (0.43) FTOCOMTABCB1ABCC1KMT2A

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 4 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
EP-3885337-A1 FTO INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2021-09-29 EP disclosed
EP-3303283-B1 FTO INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-04-21 EP 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 9/4885TPMT 278/4885

“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.