SCHEMBL20100860

SCHEMBL20100860

COc1cc(/C(O)=C(\C#N)c2ccncn2)cc([N+](=O)[O-])c1OC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.62
COMT P21964 1/20 0.48
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
POLB P06746 1/20 0.40
TPMT P51580 1/20 0.39
ABCB1 P08183 3/20 0.38
ABCC1 P33527 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29493674 1.00 FTO (0.62) FTOCOMTKMT2AMEN1CTNNB1
SCHEMBL20100858 0.88 FTO (0.62) FTOCOMTKMT2AMEN1ABCB1
SCHEMBL28717463 0.85 FTO (0.83) FTOCOMTKMT2AMEN1POLB
SCHEMBL20100859 0.85 FTO (0.83) FTOCOMTKMT2AMEN1POLB
SCHEMBL29493665 0.85 FTO (0.83) FTOCOMTKMT2AMEN1POLB
SCHEMBL28720678 0.82 FTO (0.63) FTOCOMTKMT2AMEN1TPMT
SCHEMBL28720676 0.82 FTO (0.63) FTOCOMTKMT2AMEN1TPMT
SCHEMBL20100828 0.81 COMT (0.72) FTOCOMTKMT2AMEN1RAB9A
SCHEMBL29493647 0.81 COMT (0.72) FTOCOMTKMT2AMEN1RAB9A
SCHEMBL28717367 0.80 FTO (0.61) FTOCOMTKMT2AMEN1POLB

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 9/4885KMT2A 184/4885

“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.