SCHEMBL20100872

SCHEMBL20100872

COc1cc(/C(O)=C(\C#N)C(=O)NCc2ccncn2)cc([N+](=O)[O-])c1OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 4/20 0.43
COMT P21964 2/20 0.43
KMT2A Q03164 1/20 0.39
HPGDS O60760 1/20 0.39
POLB P06746 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MAPK14 Q16539 1/20 0.38
ABCB1 P08183 3/20 0.37
ABCC1 P33527 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL29493680 1.00 FTO (0.43) FTOCOMTKMT2AHPGDSPOLB
SCHEMBL20100874 0.84 COMT (0.62) FTOCOMT
SCHEMBL29493646 0.84 COMT (0.62) FTOCOMT
SCHEMBL20100877 0.82 FTO (0.53) FTOCOMTKMT2AABCB1ABCC1
SCHEMBL21998847 0.80 FTO (0.44) FTOCOMTKMT2AABCB1ABCC1
SCHEMBL20100863 0.78 COMT (0.70) FTOCOMTKMT2APOLBSMN1; SMN2
SCHEMBL20100890 0.78 TDP1 (0.45) FTOCOMTKMT2AABCB1ABCC1
SCHEMBL28715848 0.78 COMT (0.52) FTOCOMTKMT2APOLBABCB1
SCHEMBL20100871 0.78 COMT (0.52) FTOCOMTKMT2APOLBABCB1
SCHEMBL29493674 0.77 FTO (0.62) FTOCOMTKMT2APOLBABCB1

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 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.